SCHEMBL11122829

SCHEMBL11122829

COc1c(CC#N)cccc1Oc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.50
HTR2A P28223 6/20 0.50
SLC6A2 P23975 3/20 0.47
SLC6A3 Q01959 3/20 0.47
MAPT P10636 1/20 0.45
KCNH2 Q12809 4/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL11173106 0.87 MEN1 (0.44) SLC6A4HTR2ASLC6A2SLC6A3POLB
SCHEMBL11124064 0.86 SLC6A4 (0.51) SLC6A4HTR2ASLC6A2SLC6A3MAPT
SCHEMBL8922734 0.82 SLC6A4 (0.62) SLC6A4HTR2ASLC6A2SLC6A3MAPT
SCHEMBL11125167 0.82 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3MAPTKCNH2
SCHEMBL11123672 0.81 SLC6A4 (0.50) SLC6A4HTR2ASLC6A2SLC6A3MAPT
SCHEMBL4160051 0.80 SMN1; SMN2 (0.46) POLBGAAMAPK1L3MBTL1ALDH1A1
SCHEMBL14396317 0.80 SLC6A4 (0.49) SLC6A4HTR2ASLC6A2SLC6A3KCNH2
SCHEMBL11120686 0.80 ALDH1A1 (0.42) SLC6A4SLC6A2SLC6A3KCNH2POLB
SCHEMBL11118768 0.77 AR (0.47) SLC6A4SLC6A2SLC6A3POLBNPC1
SCHEMBL11118737 0.77 CHRM1 (0.48) SLC6A4HTR2ASLC6A2SLC6A3POLB

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