SCHEMBL7625577

SCHEMBL7625577

COC(=O)C(C)(C)Oc1ccc(CCCO)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.73
CYP4A11 Q02928 2/20 0.54
PPARG P37231 7/20 0.50
CYP4F2 P78329 1/20 0.49
ABCB11 O95342 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HTR2A P28223 1/20 0.43
PMP22 Q01453 1/20 0.43
PPARD Q03181 2/20 0.42
ALDH1A1 P00352 1/20 0.42
FABP2 P12104 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ADRB3 P13945 2/20 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
SCHEMBL3286612 0.85 PPARA (0.69) PPARACYP4A11PPARGCYP4F2ABCB11
SCHEMBL3839840 0.84 PPARA (1.00) PPARAPPARGCYP1A2CYP3A4PPARD
SCHEMBL5661528 0.84 PPARA (0.59) PPARACYP4A11PPARGCYP4F2LTA4H
SCHEMBL14526638 0.84 PPARA (0.59) PPARACYP4A11PPARGCYP4F2LTA4H
SCHEMBL30730123 0.84 PPARA (0.70) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL4575624 0.83 PPARA (0.53) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL13792687 0.82 PPARA (0.65) PPARACYP4A11PPARGCYP4F2ABCB11
SCHEMBL2982136 0.82 CYP4A11 (0.54) PPARACYP4A11CYP4F2LTA4HEPHX2
SCHEMBL10733316 0.82 PPARA (0.53) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL3286903 0.81 PPARA (0.63) PPARACYP4A11PPARGCYP4F2ABCB11

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
US-6350892-B1 ENZYME INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2002-02-26 US disclosed