SCHEMBL11118768

SCHEMBL11118768

COc1c(CC#N)cccc1Oc1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.47
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
SCN8A Q9UQD0 1/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABCB1 P08183 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CRHBP P24387 1/20 0.36
MAPK1 P28482 1/20 0.36
CRHR2 Q13324 1/20 0.36

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
SCHEMBL11120686 0.88 ALDH1A1 (0.42) ARSLC6A2SLC6A4SLC6A3TSHR
SCHEMBL11125776 0.84 CXCL8 (0.42) ARSLC6A2SLC6A4SLC6A3ABCB1
SCHEMBL11125167 0.84 SLC6A2 (0.47) ARSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL11173106 0.84 MEN1 (0.44) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL4160051 0.82 SMN1; SMN2 (0.46) TSHRMEN1KMT2ASMN1; SMN2ABCB1
SCHEMBL8595893 0.82 ABCB1 (0.43) SLC6A2SLC6A4SLC6A3TSHRMEN1
SCHEMBL22904150 0.81 AR (0.44) ARSLC6A2SLC6A4SLC6A3TSHR
SCHEMBL11126341 0.80 AR (0.40) ARSCN8ATSHRMEN1NPC1
SCHEMBL11125447 0.80 AR (0.40) ARSLC6A2SLC6A4SLC6A3SCN8A
SCHEMBL1235279 0.80 SGMS2 (0.42) SCN8ATSHRNPC1RAB9AABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0033614-B1 PHENYLALKANOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-06-06 EP disclosed
US-4367238-A ANTIINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1983-01-04 US disclosed
EP-0033614-A1 Phenylalkanoic acid derivatives, processes for the preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-12 EP disclosed