SCHEMBL4888977

SCHEMBL4888977

CCC(C)N(C(=O)SCc1ccccc1)C(C)CC.CCC(C)N(C(=O)SCc1ccccc1)C(C)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
TRPA1 O75762 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL65715 1.00 IDO1 (0.41) IDO1NOS3NOS1NOS2SMN1; SMN2
SCHEMBL28178809 0.86 ALDH1A1 (0.40) IDO1NOS3NOS1NOS2SMN1; SMN2
SCHEMBL27841776 0.86 ALDH1A1 (0.33) IDO1SMN1; SMN2TDP1L3MBTL1PPARG
SCHEMBL11859462 0.85 KMT2A (0.45) IDO1NOS3NOS1NOS2SMN1; SMN2
SCHEMBL11799295 0.84 IDO1 (0.44) IDO1TDP1KMT2AALDH1A1POLB
SCHEMBL11792567 0.84 TDP1 (0.44) IDO1SMN1; SMN2TDP1L3MBTL1MEN1
Diallate SCHEMBL10696405 0.83 TDP1 (0.34) IDO1SMN1; SMN2TDP1L3MBTL1MEN1
Diallate SCHEMBL10696403 0.83 TDP1 (0.34) IDO1SMN1; SMN2TDP1L3MBTL1MEN1
SCHEMBL10836968 0.83 IDO1 (0.48) IDO1L3MBTL1MEN1KMT2AALDH1A1
Vernolate SCHEMBL11017015 0.81 CYP2C19 (0.36) IDO1SMN1; SMN2TDP1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 166 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3746505-B1 COMPOSITION, POLYMER COMPOSITE ARTICLE FORMED THEREWITH, AND METHOD OF PREPARING SAME DOW SILICONES CORP (US) 2024-06-26 EP disclosed
EP-3906245-B1 MULTIFUNCTIONAL ORGANOSILICON COMPOUND AND RELATED METHODS, COMPOUNDS, AND COMPOSITIONS DOW SILICONES CORP (US) 2024-05-29 EP disclosed
US-20240124709-A1 COMPOSITION, POLYMER COMPOSITE ARTICLE FORMED THEREWITH, AND METHOD OF PREPARING SAME DOW GLOBAL TECHNOLOGIES LLC 2024-04-18 US disclosed
EP-3645640-B1 SILICONE-POLYETHER COPOLYMER, METHOD OF PREPARING SAME, AND SEALANT COMPRISING SAME DOW SILICONES CORP (US) 2024-03-06 EP disclosed
US-11884821-B2 Composition, polymer composite article formed therewith, and method of preparing same DOW SILICONES CORPORATION (US) 2024-01-30 US disclosed
WO-2023215360-A1 SILICONE-POLYETHER COPOLYMER, SEALANTS COMPRISING SAME, AND RELATED METHODS DOW SILICONES CORPORATION (US) 2023-11-09 WO disclosed
US-11807775-B2 Silicone-organic copolymer, sealants comprising same, and related methods DOW SILICONES CORPORATION (US) 2023-11-07 US disclosed
US-11760841-B2 Silicone-polycarbonate copolymer, sealants comprising same, and related methods DOW SILICONES CORPORATION (US) 2023-09-19 US disclosed
EP-3898779-B1 SILICONE-POLYESTER COPOLYMER, SEALANTS COMPRISING SAME, AND RELATED METHODS DOW SILICONES CORP (US) 2023-02-08 EP disclosed
EP-3898781-B1 SILICONE-POLYCARBONATE COPOLYMER, SEALANTS COMPRISING SAME, AND RELATED METHODS DOW SILICONES CORP (US) 2023-01-04 EP disclosed
US-5688745-A Arylsulfonylureas and their use as herbicides and growth regulators HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-18 US disclosed
US-5463081-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
EP-0574418-A1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1993-12-22 EP disclosed
WO-1992022203-A1 SUBSTITUTED PYRIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-12-23 WO disclosed
WO-1992020684-A1 HERBICIDAL OXATRICYCLIC ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-11-26 WO disclosed
WO-1992013861-A1 HERBICIDAL BICYCLIC ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-20 WO disclosed
WO-1992013845-A1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-20 WO disclosed
WO-1992010501-A1 HERBICIDAL ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-25 WO disclosed
WO-1992009587-A1 HERBICIDAL OXAZINE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 WO disclosed
WO-1992009578-A1 SUBSTITUTED FUSED HETEROCYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 WO disclosed