SCHEMBL9633336

SCHEMBL9633336

CC(C)=Cc1cccc(CCCO)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.44
CYP4A11 Q02928 4/20 0.44
PLAU P00749 1/20 0.37
TBXA2R P21731 1/20 0.37
HMGCR P04035 1/20 0.36
LPL P06858 2/20 0.36
LIPG Q9Y5X9 2/20 0.36
LTA4H P09960 1/20 0.36
EPHX2 P34913 1/20 0.36
SLC9A1 P19634 1/20 0.35
SLC9A3 P48764 1/20 0.35
SLC9A2 Q9UBY0 1/20 0.35
HDAC4 P56524 1/20 0.34
MEF2D Q14814 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
SCHEMBL9633367 0.85 HMGCR (0.36) CYP4F2CYP4A11HMGCRLPLLIPG
SCHEMBL9631997 0.82 SQLE (0.43) CYP4F2CYP4A11
SCHEMBL9632012 0.82 SQLE (0.43) CYP4F2CYP4A11
SCHEMBL23648072 0.79 CYP4F2 (0.43) CYP4F2CYP4A11PLAUTBXA2RLPL
SCHEMBL1246800 0.79 CYP4F2 (0.46) CYP4F2CYP4A11PLAUTBXA2RLTA4H
SCHEMBL9632936 0.78 CYP4A11 (0.44) CYP4F2CYP4A11LTA4HEPHX2
SCHEMBL9633674 0.77 KEAP1 (0.52) LIPG
SCHEMBL241880 0.77 CYP4F2 (0.53) CYP4F2CYP4A11TBXA2RLPLLIPG
SCHEMBL1554030 0.77 SLC9A1 (0.48) SLC9A1SLC9A3SLC9A2
SCHEMBL9455027 0.77 SLC9A1 (0.41) CYP4F2CYP4A11SLC9A1SLC9A3SLC9A2

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-0513761-A2 Bisphosphonate squalene synthetase inhibitors E.R. SQUIBB & SONS, INC. (US) 1992-11-19 EP disclosed
US-5157027-A Anticholesterol agents E. R. SQUIBB & SONS, INC. (US) 1992-10-20 US disclosed