SCHEMBL9275641

SCHEMBL9275641

C=CC=CC1(C(=O)O)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.34

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
SCHEMBL9275638 1.00 CYP2C19 (0.34) CYP2C19
SCHEMBL9288157 0.89 FFAR3 (0.31)
SCHEMBL648973 0.79 CYP2C19 (0.38) CYP2C19
SCHEMBL9274412 0.79 FFAR3 (0.34)
SCHEMBL9274405 0.79 FFAR3 (0.34)
SCHEMBL471835 0.77 CYP2C19 (0.34) CYP2C19
SCHEMBL9392709 0.76 ATM (0.40)
SCHEMBL9392710 0.76 ATM (0.40)
SCHEMBL9274215 0.75
SCHEMBL9217052 0.75

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-0681582-A1 PYRAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF PHARMACIA & UPJOHN COMPANY (US) 1995-11-15 EP disclosed
WO-1994017069-A1 PYRAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1994-08-04 WO disclosed