SCHEMBL25398267

SCHEMBL25398267

COc1ccc(-c2cc([O])nn2-c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 2/20 0.56
▸ MDM2 Q00987 2/20 0.56
▸ MCL1 Q07820 2/20 0.56
▸ CCKAR P32238 10/20 0.55
▸ PTGS2 P35354 6/20 0.53
▸ PTGS1 P23219 5/20 0.53
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ MALT1 Q9UDY8 1/20 0.50
▸ RPA1 P27694 1/20 0.50

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
SCHEMBL26909730 0.79 BCL2 (0.56) BCL2MDM2MCL1CCKARPTGS1
SCHEMBL25397016 0.76 BCL2 (0.55) BCL2MDM2MCL1CCKARPTGS1
SCHEMBL29074655 0.75 CCKAR (0.50) BCL2MDM2MCL1CCKARPTGS2
SCHEMBL6211396 0.75 PTGS2 (0.56) CCKARPTGS2PTGS1CYP1A2CYP3A4
SCHEMBL5147907 0.75 PTGS2 (0.56) CCKARPTGS2PTGS1CYP1A2CYP3A4
SCHEMBL28171522 0.74 BCL2 (0.52) BCL2MDM2MCL1PTGS2PTGS1
SCHEMBL5214995 0.74 PTGS2 (0.67) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL28038232 0.74 BCL2 (0.65) BCL2MDM2MCL1PTGS2MALT1
SCHEMBL13157611 0.73 ALOX5 (0.48) BCL2MDM2MCL1CCKARPTGS2
SCHEMBL13239865 0.72 CA1 (0.59) CCKARPTGS2PTGS1CYP1A2CYP3A4

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 claimed
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