SCHEMBL10941593

SCHEMBL10941593

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.53
PLK1 P53350 1/20 0.53
THRA P10827 6/20 0.51
THRB P10828 6/20 0.51
CNR2 P34972 1/20 0.50
HPGD P15428 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 1/20 0.49
TRPV1 Q8NER1 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.46
RARA P10276 1/20 0.46
MAPT P10636 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
BDKRB2 P30411 1/20 0.45

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
SCHEMBL195630 0.95 RARB (0.57) RARBPLK1THRATHRBHPGD
SCHEMBL10943082 0.94 THRA (0.55) RARBTHRATHRBALDH1A1MEN1
SCHEMBL195074 0.89 THRA (0.59) RARBTHRATHRBALDH1A1MEN1
SCHEMBL6702544 0.89 THRA (0.59) RARBTHRATHRBALDH1A1MEN1
SCHEMBL3279886 0.89 THRA (0.59) RARBTHRATHRBALDH1A1MEN1
SCHEMBL151548 0.89 THRA (0.59) RARBTHRATHRBALDH1A1MEN1
SCHEMBL10712859 0.89 THRA (0.59) RARBTHRATHRBALDH1A1MEN1
SCHEMBL6692949 0.89 THRA (0.59) RARBTHRATHRBALDH1A1MEN1
SCHEMBL10713905 0.89 THRA (0.59) RARBTHRATHRBALDH1A1MEN1
SCHEMBL1404028 0.86 RARB (0.67) RARBPLK1THRATHRBCNR2

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-4496447-A PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS AND FOR CURING PRINTING INKS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1985-01-29 US disclosed
US-4374984-A Aromatic-aliphatic ketones useful as photoinitiators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-02-22 US disclosed