SCHEMBL11238516

SCHEMBL11238516

CC(=O)Oc1ccc(CC(C)C)cc1Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.45
PTGES O14684 1/20 0.43
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
P2RX3 P56373 1/20 0.43
CFD P00746 1/20 0.42
AKT1 P31749 1/20 0.42
PPARD Q03181 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
CETP P11597 1/20 0.41
FDFT1 P37268 2/20 0.41
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41

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
SCHEMBL11231975 0.85 HTR1D (0.48) FFAR1PTGESFFAR4
SCHEMBL1787452 0.79 CYP3A4 (0.54)
SCHEMBL11245815 0.78 TP53 (0.43) PPARGCFDAKT1TP53MDM2
SCHEMBL8174800 0.78 CETP (0.54) FFAR1PTGESMMEACECPA1
SCHEMBL27627503 0.74 AKT1 (0.46) CFDAKT1
SCHEMBL11345408 0.74 FFAR1 (0.56) FFAR1PTGESMMEACECPA1
SCHEMBL9538055 0.73 TAAR1 (0.56) FFAR1PTGESMMEACECPA1
SCHEMBL27316147 0.72 ALOX15 (0.53) PPARGCFDTP53
SCHEMBL10680144 0.72 ALOX15 (0.62) CFD
SCHEMBL13133127 0.72 PARP1 (0.47) CFD

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
US-4315017-A Triazole derivatives BASF AKTIENGESELLSCHAFT (DE) 1982-02-09 US disclosed
US-4256754-A PHENYL-1,2,4-TRIAZOLE DERIVATIVE, CARBAMATE BASF AKTIENGESELLSCHAFT (DE) 1981-03-17 US disclosed