SCHEMBL3639201

SCHEMBL3639201

CCCc1[c]c(-c2c(Cl)cccc2Cl)no1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GHSR Q92847 1/20 0.35
LMNA P02545 4/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 3/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL1326560 0.75 ALDH1A1 (0.44) ALDH1A1L3MBTL1LMNATSHRGAA
SCHEMBL1179711 0.71 NR1H4 (0.38) ALDH1A1L3MBTL1GHSRLMNATSHR
SCHEMBL10268372 0.68 SMN1; SMN2 (0.53) ALDH1A1L3MBTL1NPC1RAB9ATSHR
SCHEMBL5041655 0.67 NPC1 (0.33) ALDH1A1L3MBTL1NPC1RAB9ATSHR
SCHEMBL1679666 0.66 LMNA (0.44) ALDH1A1NPC1LMNAGAAMAPT
SCHEMBL22790395 0.66 TDP1 (0.53) ALDH1A1L3MBTL1NPC1GHSRLMNA
SCHEMBL3642232 0.65 GHSR (0.49) ALDH1A1L3MBTL1GHSRLMNATSHR
SCHEMBL12168922 0.65 GHSR (0.49) ALDH1A1L3MBTL1GHSRLMNATSHR
SCHEMBL10405275 0.65 KMT2A (0.40) ALDH1A1L3MBTL1NPC1RAB9ALMNA
SCHEMBL3638890 0.64 GHSR (0.48) ALDH1A1L3MBTL1NPC1GHSRLMNA

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
EP-2173174-A1 FARNESOID X RECEPTOR AGONISTS GlaxoSmithKline LLC (US) 2010-04-14 EP disclosed
WO-2009005998-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-01-08 WO disclosed