SCHEMBL7633932

SCHEMBL7633932

CCCCc1ccc(C(=O)CC(=O)c2ccc(CCCC)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.68
HAO1 Q9UJM8 1/20 0.68
THRA P10827 7/20 0.64
THRB P10828 7/20 0.64
RARB P10826 5/20 0.62
TRPV1 Q8NER1 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58

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
SCHEMBL7638853 0.93 TRPV1 (0.65) PLK1HAO1THRATHRBRARB
SCHEMBL12620502 0.93 HAO1 (0.60) PLK1HAO1THRATHRBRARB
SCHEMBL1577439 0.92 HAO1 (0.79) HAO1THRATHRBRARBALDH1A1
SCHEMBL28937871 0.91 HAO1 (0.62) PLK1HAO1THRATHRBRARB
SCHEMBL2354104 0.90 CYP4A11 (0.66) PLK1HAO1THRATHRBRARB
SCHEMBL7637309 0.88 MMP1 (0.58) PLK1HAO1THRATHRBALDH1A1
SCHEMBL3375914 0.88 ALDH1A1 (0.56) PLK1HAO1THRATHRBALDH1A1
SCHEMBL30089476 0.88 THRA (0.70) PLK1HAO1THRATHRBRARB
SCHEMBL10031544 0.88 THRA (0.64) PLK1HAO1THRATHRBRARB
SCHEMBL7631396 0.88 L3MBTL1 (0.67) PLK1HAO1THRATHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4116869-A POLYMERIZATION PHILLIPS PETROLEUM COMPANY (US) 1978-09-26 US claimed
US-4095017-A VINYL MONOMER POLYMERIZATION OR COPOLYMERIZATION CATALYZED BY ORGANOALUMINUM-ORGANOPHOSPHINE-METAL SALT OF A BETA-DIKETONE CATALYST SYSTEM PHILLIPS PETROLEUM COMPANY (US) 1978-06-13 US claimed
US-4020018-A Alkene oxide or acrylate polymerization or copolymerization catalyzed by organoaluminum-organophosphine-metal salt of a beta-diketone PHILLIPS PETROLEUM COMPANY (US) 1977-04-26 US claimed
US-6448304-B1 POLYURETHANE, POLYTHIOURETHANE OR DIETHYLENE GLYCOL BISALLYLCARBONATE POLYMER; DIPPING IN SOLUTION CONTAINING A DIBENZOYLMETHANE OR A BENZOTRIZOLE COMPOUND; PLASTIC LENS FOR SPECTACLES WHICH ABSORBS ULTRAVIOLET RAYS; LOW YELLOWNESS HOYA CORPORATION (JP) 2002-09-10 US disclosed
US-4116869-A POLYMERIZATION PHILLIPS PETROLEUM COMPANY (US) 1978-09-26 US disclosed
US-4095017-A VINYL MONOMER POLYMERIZATION OR COPOLYMERIZATION CATALYZED BY ORGANOALUMINUM-ORGANOPHOSPHINE-METAL SALT OF A BETA-DIKETONE CATALYST SYSTEM PHILLIPS PETROLEUM COMPANY (US) 1978-06-13 US disclosed
US-4020018-A Alkene oxide or acrylate polymerization or copolymerization catalyzed by organoaluminum-organophosphine-metal salt of a beta-diketone PHILLIPS PETROLEUM COMPANY (US) 1977-04-26 US disclosed