SCHEMBL10322210

SCHEMBL10322210

CCCCc1ccc(C(=O)c2ccccc2F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.54
TRPV1 Q8NER1 1/20 0.51
RARB P10826 3/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
THRA P10827 2/20 0.49
THRB P10828 2/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
PLK3 Q9H4B4 4/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ABCC9 O60706 1/20 0.45
ABCC8 Q09428 1/20 0.45
KCNJ11 Q14654 1/20 0.45
KCNJ8 Q15842 1/20 0.45
CNR2 P34972 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
SCHEMBL11530894 0.95 PLK1 (0.52) PLK1RARBNPC1GAARAB9A
SCHEMBL11528615 0.91 GAA (0.59) PLK1NPC1GAARAB9ATHRB
SCHEMBL11527888 0.83 PLK1 (0.55) PLK1TRPV1RARBTHRATHRB
SCHEMBL28111022 0.83 RARB (0.59) PLK1TRPV1RARBPLK3
SCHEMBL11528595 0.82 KMT2A (0.55) PLK1TRPV1RARBTHRATHRB
SCHEMBL31483533 0.82 PLK1 (0.54) PLK1TRPV1RARBNPC1RAB9A
SCHEMBL9712617 0.82 PLK1 (0.54) PLK1TRPV1RARBTHRATHRB
SCHEMBL1688009 0.81 FAAH (0.52) PLK1
SCHEMBL4603474 0.80 TRPV1 (0.64) PLK1TRPV1RARBNPC1RAB9A
SCHEMBL1404028 0.80 RARB (0.67) PLK1TRPV1RARBTHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014176460-A1 METHODS OF TREATING BEHAVIORIAL AND/OR MENTAL DISORDERS CHAU DAVID T (US) 2014-10-30 WO disclosed
US-8486922-B2 Composition CHEN CHIEN-HUNG (TW) 2013-07-16 US disclosed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US disclosed
EP-0228996-A2 Antiflaking agent WARNER-LAMBERT COMPANY (US) 1987-07-15 EP disclosed
US-4672076-A Non-steroidal anti-inflammatory compounds and compositions thereof WARNER-LAMBERT COMPANY (US) 1987-06-09 US disclosed
US-4623663-A 4-DIMETHYLAMINO BENZOPHENONE WARNER-LAMBERT COMPANY (US) 1986-11-18 US disclosed
US-4609677-A 1-PHENYL-1-CYCLOHEXENE AND 4-PHENYLCYCLOHEXANONE WARNER-LAMBERT COMPANY (US) 1986-09-02 US disclosed
US-4587260-A Dibenzalacetone and benzylcinnamate as non-steroidal anti-inflammatory compounds and compositions thereof WARNER-LAMBERT COMPANY (US) 1986-05-06 US disclosed
US-4578405-A 1-PHENYLCYCLOHEXENE, 4-PHENYLCYCLOHEXANONE WARNER-LAMBERT COMPANY (US) 1986-03-25 US disclosed
US-4569944-A Dibenzosuberone as a non-steroidal anti-inflammatory compound and compositions thereof WARNER-LAMBERT COMPANY (US) 1986-02-11 US disclosed
US-4568697-A ANTIINFLAMMATORY AGENTS; ANALGESICS/ AGENT, AND ANNEALING WARNER-LAMBERT COMPANY (US) 1986-02-04 US disclosed
US-4568696-A DIPHENYL KETONE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1986-02-04 US disclosed
US-4562194-A BENZOPHENONE COMPOUND IN COMBINATION WITH 3-ISOBUTYL-1-METHYLANTHINE WARNER-LAMBERT COMPANY (US) 1985-12-31 US disclosed
US-4559328-A ANALGESICS, ANTISWELLING AGENTS WARNER-LAMBERT COMPANY (US) 1985-12-17 US disclosed
US-4530844-A Containing diphenyl ketone compound WARNER-LAMBERT COMPANY (US) 1985-07-23 US disclosed
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