SCHEMBL25397016

SCHEMBL25397016

CCC(Oc1cc(-c2ccc(OC)cc2)n(-c2ccc(C(C)C)cc2)n1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 2/20 0.55
▸ MDM2 Q00987 2/20 0.55
▸ MCL1 Q07820 2/20 0.55
▸ CCKAR P32238 15/20 0.55
▸ RPA1 P27694 1/20 0.47
▸ CHRNA7 P36544 1/20 0.47
▸ ALOX5 P09917 1/20 0.46
▸ PTGS1 P23219 1/20 0.46

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
SCHEMBL25394626 0.90 RPA1 (0.54) BCL2MDM2MCL1CCKARRPA1
SCHEMBL26909730 0.83 BCL2 (0.56) BCL2MDM2MCL1CCKARRPA1
SCHEMBL25393885 0.80 L3MBTL1 (0.55) BCL2MDM2MCL1CCKARRPA1
SCHEMBL25396121 0.79 MDM2 (0.53) BCL2MDM2MCL1CCKARRPA1
SCHEMBL29074655 0.79 CCKAR (0.50) BCL2MDM2MCL1CCKARALOX5
SCHEMBL25394286 0.79 CCKAR (0.49) BCL2MDM2MCL1CCKARRPA1
SCHEMBL25400717 0.78 CCKAR (0.46) CCKARCHRNA7ALOX5PTGS1
SCHEMBL25399275 0.76 CCKAR (0.45) CCKAR
SCHEMBL25398267 0.76 BCL2 (0.56) BCL2MDM2MCL1CCKARRPA1
SCHEMBL25398184 0.76 MAPT (0.44) BCL2MDM2MCL1CCKARRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4240723-A1 USE OF [(1,5-DIPHENYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AND THEIR SALTS AND COMPOSITIONS CONTAINING THEM, FOR REDUCING PHYTOTOXIC EFFECTS OF AGROCHEMICALS, IN PARTICULAR OF HERBICIDES, IN USEFUL PLANTS AND CROP PLANTS Bayer Aktiengesellschaft (DE) 2023-09-13 — — EP disclosed
Send feedback