SCHEMBL7603206

SCHEMBL7603206

CC(C)C(O)(Cc1ccccc1)P(=O)(O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.59
GGPS1 O95749 2/20 0.44
TRPA1 O75762 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ACP3 P15309 1/20 0.41
LAP3 P28838 3/20 0.41
ANPEP P15144 1/20 0.41
TSHR P16473 1/20 0.41
PTPN1 P18031 2/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL10626908 0.80 FDPS (0.61) FDPSGGPS1TRPA1CYP1A2ACP3
SCHEMBL3419952 0.76 FDPS (0.66) FDPSGGPS1TRPA1CYP1A2CYP2C9
SCHEMBL7606373 0.75 FDPS (0.70) FDPSGGPS1CYP1A2CYP2C9CYP2C19
SCHEMBL3846830 0.75 FDPS (1.00) FDPSGGPS1CYP1A2CYP2C9CYP2C19
SCHEMBL25043590 0.75 TRPA1 (0.55) FDPSTRPA1CYP1A2CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL6572415 0.75 TRPA1 (0.50) FDPSTRPA1CYP1A2CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL27822678 0.73 TRPA1 (0.53) FDPSTRPA1CYP1A2CYP2C9CYP2C19
SCHEMBL7605699 0.73 FDPS (0.61) FDPSGGPS1TRPA1CYP1A2CYP2C9
SCHEMBL3075655 0.72 FDPS (0.67) FDPSGGPS1CYP1A2CYP2C9CYP2C19
SCHEMBL4445459 0.72 TRPA1 (0.52) FDPSTRPA1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0916679-B1 Benzazepinone-N-acetic acid derivatives having a phosphonic acid group, process for their preparation and medicaments containing these compounds SOLVAY PHARM GMBH (DE) 2002-11-20 EP disclosed
EP-0916679-A1 Benzazepinone-N-acetic acid derivatives having a phosphonic acid group, process for their preparation and medicaments containing these compounds Solvay Pharmaceuticals GmbH (DE) 1999-05-19 EP disclosed