SCHEMBL4335252

SCHEMBL4335252

CCCc1onc(-c2c(Cl)cccc2Cl)c1CCCO

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.50
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
NR1H4 Q96RI1 4/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
GPBAR1 Q8TDU6 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
SCHEMBL3638644 0.88 GHSR (0.50) GHSRALDH1A1L3MBTL1TSHRTDP1
SCHEMBL12168922 0.85 GHSR (0.49) GHSRALDH1A1L3MBTL1TSHRTDP1
SCHEMBL3638890 0.83 GHSR (0.48) GHSRALDH1A1L3MBTL1TSHRTDP1
SCHEMBL12168917 0.82 GHSR (0.45) GHSRALDH1A1L3MBTL1TSHRTDP1
SCHEMBL3637567 0.82 GHSR (0.51) GHSRALDH1A1L3MBTL1TSHRTDP1
SCHEMBL4332286 0.81 GHSR (0.47) GHSRALDH1A1L3MBTL1TSHRTDP1
SCHEMBL2001485 0.79 NR1H4 (0.61) NR1H4
SCHEMBL18724861 0.78 TDP1 (0.45) GHSRALDH1A1L3MBTL1TSHRTDP1
SCHEMBL22790395 0.77 TDP1 (0.53) GHSRALDH1A1L3MBTL1TSHRTDP1
SCHEMBL3642232 0.76 GHSR (0.49) GHSRALDH1A1L3MBTL1TSHRTDP1

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