SCHEMBL3947154

SCHEMBL3947154

CC(C)C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
NOS2 P35228 6/20 0.59
NOS3 P29474 5/20 0.59
NOS1 P29475 5/20 0.59
TAS1R3 Q7RTX0 2/20 0.59
TAS1R1 Q7RTX1 2/20 0.59
CASP1 P29466 1/20 0.57
CASP3 P42574 1/20 0.57
CASP7 P55210 1/20 0.57
CASP6 P55212 1/20 0.57
CASP8 Q14790 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57
PPARG P37231 1/20 0.54
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51

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
SCHEMBL22994396 1.00 TDP1 (0.60) TDP1NOS2NOS3NOS1TAS1R3
SCHEMBL25286773 1.00 TDP1 (0.60) TDP1NOS2NOS3NOS1TAS1R3
SCHEMBL7313192 1.00 TDP1 (0.60) TDP1NOS2NOS3NOS1TAS1R3
SCHEMBL6015463 0.87 NOS2 (0.77) TDP1NOS2NOS3NOS1TAS1R3
SCHEMBL11902257 0.87 NOS2 (0.77) TDP1NOS2NOS3NOS1TAS1R3
SCHEMBL11902254 0.87 NOS2 (0.77) TDP1NOS2NOS3NOS1TAS1R3
SCHEMBL11902256 0.87 NOS2 (0.77) TDP1NOS2NOS3NOS1TAS1R3
SCHEMBL28869568 0.85 NOS2 (0.61) NOS2NOS3NOS1CASP1CASP3
SCHEMBL29935879 0.85 NOS2 (0.61) NOS2NOS3NOS1CASP1CASP3
SCHEMBL31611808 0.85 TAS1R3 (0.81) NOS2NOS3NOS1TAS1R3TAS1R1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117751124-A Spiro oxindole compounds and application thereof in preparing antiviral protease inhibitor medicines 南京药石科技股份有限公司 2024-03-22 CN disclosed
WO-2023172372-A1 AMIDE COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH INCORPORATED (US) 2023-09-14 WO disclosed
WO-2023109926-A1 SPIROOXINDOLE COMPOUND AND USE THEREOF IN PREPARATION OF PROTEASE INHIBITOR AS ANTIVIRAL DRUG 南京药石科技股份有限公司 2023-06-22 WO disclosed
WO-2023109926-A1 SPIROOXINDOLE COMPOUND AND USE THEREOF IN PREPARATION OF PROTEASE INHIBITOR AS ANTIVIRAL DRUG 南京药石科技股份有限公司 2023-06-22 WO disclosed
US-7550437-B2 Compositions for preventing and treating digestive organs diseases FUSO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2009-06-23 US disclosed
EP-1258251-B1 COMPOSITIONS FOR PREVENTING AND TREATING DIGESTIVE DISEASES FUSO PHARMACEUTICAL IND (JP) 2009-04-15 EP disclosed
US-20060172949-A1 Compositions for preventing and treating digestive organs diseases FUSO PHARMACEUTICAL IND. LTD. (JP) 2006-08-03 US disclosed
US-20030166553-A1 Compositions for preventing and treating digestive organs diseases FUSO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2003-09-04 US disclosed
EP-1258251-A1 COMPOSITIONS FOR PREVENTING AND TREATING DIGESTIVE DISEASES FUSO PHARMACEUTICAL INDUSTRIES LTD. (JP) 2002-11-20 EP disclosed
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP disclosed