SCHEMBL9270286

SCHEMBL9270286

CC(=O)Cc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.53
PRMT6 Q96LA8 1/20 0.53
POLB P06746 2/20 0.51
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
LTA4H P09960 1/20 0.43
EPHX2 P34913 1/20 0.43
KMT2A Q03164 2/20 0.41
SRD5A2 P31213 2/20 0.41
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
S1PR5 Q9H228 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX5 P09917 1/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2367221 0.88 POLB (0.56) POLBALDH1A1MAPTLTA4HEPHX2
SCHEMBL9267107 0.86 LPAR1 (0.48) POLBLTA4HEPHX2SRD5A2MAOA
SCHEMBL10774498 0.86 POLB (0.66) POLBALDH1A1MAPTLTA4HEPHX2
SCHEMBL9270951 0.82 POLB (0.50) POLBALDH1A1
SCHEMBL9262585 0.79 HTT (0.59) POLBALDH1A1MAPTLTA4HKMT2A
SCHEMBL850542 0.79 SRD5A2 (0.62) POLBALDH1A1LTA4HEPHX2SRD5A2
SCHEMBL9272097 0.78 FFAR1 (0.64) POLB
SCHEMBL9269526 0.77 POLB (0.56) POLBMAPTLTA4HEPHX2KMT2A
SCHEMBL1564074 0.77 LTA4H (0.59) CARM1PRMT6ALDH1A1MAPTLTA4H
SCHEMBL16316407 0.77 CARM1 (0.49) CARM1PRMT6ALDH1A1MAPTRAB9A

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
US-5403934-A Heterocyclic compounds BURROUGHS WELLCOME CO. (US) 1995-04-04 US disclosed
WO-1991013873-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-19 WO disclosed
EP-0447164-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-18 EP disclosed