SCHEMBL4339369

SCHEMBL4339369

CCCc1onc(CSc2c(Cl)cccc2Cl)c1CO

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.36
GHSR Q92847 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SOD1 P00441 1/20 0.33
DHFR P00374 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALOX5 P09917 1/20 0.31
LMNA P02545 2/20 0.31
CFTR P13569 2/20 0.30
HPGD P15428 1/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL4952726 0.82 LMNA (0.42) NR1H4GHSRGPBAR1MEN1KMT2A
SCHEMBL4953612 0.82 GHSR (0.37) NR1H4GHSRGPBAR1NPC1RAB9A
SCHEMBL2002072 0.79 NR1H4 (0.51) NR1H4
SCHEMBL4345558 0.78 POLB (0.43) GHSRGPBAR1MEN1KMT2AALDH1A1
SCHEMBL3638644 0.75 GHSR (0.50) NR1H4GHSRGPBAR1KMT2ANPC1
SCHEMBL4339510 0.68 ALDH1A1 (0.36) NR1H4MEN1KMT2ANPC1RAB9A
SCHEMBL4335252 0.67 GHSR (0.50) NR1H4GHSRGPBAR1MEN1KMT2A
SCHEMBL12168922 0.66 GHSR (0.49) NR1H4GHSRGPBAR1ALDH1A1LMNA
SCHEMBL4330251 0.65 GHSR (0.42) NR1H4GHSRGPBAR1NPC1ALDH1A1
SCHEMBL320714 0.65 TAAR1 (0.41) MEN1KMT2ACFTRSMN1; SMN2

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-2079307-A2 FARNESOID X RECEPTOR AGONISTS SmithKline Beecham Corporation (US) 2009-07-22 EP disclosed
WO-2008051942-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-02 WO disclosed