SCHEMBL11528595

SCHEMBL11528595

CCCCc1ccc(C(=O)c2ccccc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
PLK1 P53350 5/20 0.54
TRPV1 Q8NER1 1/20 0.51
CNR2 P34972 1/20 0.51
HPGD P15428 2/20 0.50
RARB P10826 1/20 0.50
THRA P10827 2/20 0.49
THRB P10828 2/20 0.49
PLK3 Q9H4B4 3/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL9712617 0.85 PLK1 (0.54) PLK1TRPV1CNR2HPGDRARB
SCHEMBL11527888 0.83 PLK1 (0.55) PLK1TRPV1CNR2HPGDRARB
SCHEMBL28111022 0.83 RARB (0.59) PLK1TRPV1RARBPLK3
SCHEMBL9151142 0.82 SIGMAR1 (0.53) KMT2ATHRATHRBPOLBALDH1A1
SCHEMBL18050363 0.82 TRPV1 (0.46) PLK1TRPV1HPGDRARBTHRA
SCHEMBL18050362 0.82 TRPV1 (0.46) PLK1TRPV1HPGDRARBTHRA
SCHEMBL31483533 0.82 PLK1 (0.54) PLK1TRPV1CNR2HPGDRARB
SCHEMBL10322210 0.82 PLK1 (0.54) PLK1TRPV1CNR2HPGDRARB
SCHEMBL4603474 0.80 TRPV1 (0.64) KMT2APLK1TRPV1CNR2HPGD
SCHEMBL1404028 0.80 RARB (0.67) KMT2APLK1TRPV1CNR2HPGD

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-4145444-A 4-BUTYL-BENZOPHENONE KAKEN CHEMICAL CO., LTD. (JP) 1979-03-20 US disclosed
US-4124726-A 2-FLUORO-4'-ALKYLBENZOPHENONE KAKEN CHEMICAL CO., LTD. (JP) 1978-11-07 US disclosed