SCHEMBL54627

SCHEMBL54627

CC(C)OC(=O)c1cc(C(=O)OC(C)C)cc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 2/20 0.60
MAPT P10636 2/20 0.60
HTT P42858 2/20 0.60
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
HPGD P15428 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
CA12 O43570 3/20 0.55
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 3/20 0.55
CA9 Q16790 3/20 0.55
CA14 Q9ULX7 3/20 0.55
GAA P10253 1/20 0.52
NPC1 O15118 2/20 0.49
ALOX5 P09917 3/20 0.49
CYP3A4 P08684 1/20 0.47

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
Hydrogen Sulfide SCHEMBL29443442 0.98 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1KDM4EMAPTHTT
SCHEMBL5708190 0.96 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1KDM4EMAPTHTT
SCHEMBL15054565 0.88 MAPT (0.50) SMN1; SMN2ALDH1A1KDM4EMAPTHTT
SCHEMBL25590216 0.83 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1KDM4EMAPTHTT
SCHEMBL16606258 0.82 CA12 (0.75) SMN1; SMN2ALDH1A1KDM4EMAPTHTT
SCHEMBL4809726 0.82 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1KDM4EMAPTHTT
SCHEMBL9735948 0.81 GAA (0.49) SMN1; SMN2ALDH1A1KDM4EMAPTHTT
SCHEMBL561284 0.79 HTT (0.64) SMN1; SMN2ALDH1A1MAPTHTTLMNA
SCHEMBL5924462 0.79 CA12 (0.56) SMN1; SMN2ALDH1A1KDM4EMAPTHTT
SCHEMBL11312933 0.79 GAA (0.47) SMN1; SMN2ALDH1A1KDM4EMAPTHTT

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

Appears in 15007 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026105160-A1 NOVEL AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF PI INDUSTRIES LTD. (IN) 2026-05-21 WO claimed
US-20260137082-A1 FUNGICIDAL COMPOSITIONS COMPRISING FLUDIOXONIL SYNGENTA CROP PROTECTION AG (CH) 2026-05-21 US claimed
EP-4710766-A1 MIXTURES OF AMBRUTICIN WITH AT LEAST ONE FURTHER PESTICIDE BASF SE (DE) 2026-03-18 EP claimed
US-RE50724-E1 4-membered ring carboxamides used as nematicides SYNGENTA CROP PROTECTION AG (CH) 2026-01-06 US claimed
EP-3060043-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC (US) 2025-11-26 EP claimed
EP-3578542-B1 COMPOSITIONS HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-11-12 EP claimed
US-20250338849-A1 FUNGICIDAL MIXTURE COMPRISING SUBSTITUTED PYRIDINES BASF SE (DE) 2025-11-06 US claimed
WO-2025223904-A1 MIXTURES OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS WITH AT LEAST ONE FURTHER PESTICIDE I BASF SE (DE) 2025-10-30 WO claimed
EP-4640052-A1 MIXTURES OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS WITH AT LEAST ONE FURTHER PESTICIDE I BASF SE (DE) 2025-10-29 EP claimed
EP-4618760-A1 FUNGICIDAL MIXTURE COMPRISING SUBSTITUTED PYRIDINES BASF SE (DE) 2025-09-24 EP claimed
US-20030148887-A1 Process for the preparation of solvent-free suspensions BASF AKTIENGESELLSCHAFT (DE) 2003-08-07 US claimed
WO-2003050096-A1 THIAZOLE DERIVATIVES WITH FUNGICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2003-06-19 WO claimed
EP-1319336-A1 Method of preparation of solvent-free suspensions BASF AKTIENGESELLSCHAFT (DE) 2003-06-18 EP claimed
WO-2003024219-A1 FUNGICIDAL MIXTURE CONTAINING ARYLAMIDINE DERIVATIVES BAYER CROPSCIENCE S.A. (FR) 2003-03-27 WO claimed
WO-2000062792-A2 COMPOSITIONS AND METHODS FOR CONTROLLING PESTS INSECT BIOTECHNOLOGY, INC. (US) 2000-10-26 WO claimed
US-5468747-A Fungicidal compositions and methods of use employing pyrimidine derivatives ZENECA LIMITED (GB) 1995-11-21 US claimed
EP-0233910-B1 PLANT PROTECTING COMPOSITION INNOFINANCE Altalános Innovácios Pénzintézet (HU) 1990-09-19 EP claimed
CN-86105439-A Plant protection composition 1988-03-09 CN claimed
EP-0233910-A1 PLANT PROTECTING COMPOSITION. INNOFINANCE ALTALANOS INNOVACI (HU) 1987-09-02 EP claimed
WO-1987000400-A1 PLANT PROTECTING COMPOSITION INNOFINANCE ÁLTALÁNOS INNOVÁCIÓS PÉNZINTÉZET (HU) 1987-01-29 WO claimed