SCHEMBL1748122

SCHEMBL1748122

Cc1cccc2sc(Nc3ccc(-c4ccc(C(=O)C5CCC[C@@]5(C)C(=O)O)cc4)cc3F)nc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.50
ABL1 P00519 10/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
KIT P10721 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35

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
Bicarbonate SCHEMBL2311754 0.84 DGAT1 (0.53) DGAT1ABL1NPC1RAB9ATP53
SCHEMBL1747946 0.83 DGAT1 (0.69) DGAT1ABL1NPC1RAB9ATP53
SCHEMBL1747947 0.83 DGAT1 (0.69) DGAT1ABL1NPC1RAB9ATP53
SCHEMBL13760342 0.81 DGAT1 (0.57) DGAT1ABL1NPC1RAB9ATP53
SCHEMBL1747988 0.80 DGAT1 (0.72) DGAT1ABL1SMN1; SMN2MAPTKDM4E
SCHEMBL1748121 0.80 DGAT1 (0.58) DGAT1ABL1NPC1RAB9ATP53
SCHEMBL12313909 0.80 DGAT1 (0.56) DGAT1ABL1NPC1RAB9ATP53
SCHEMBL1748065 0.75 DGAT1 (0.41) DGAT1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL2309580 0.75 DGAT1 (0.41) DGAT1KDM4ELMNA
SCHEMBL1748238 0.74 DGAT1 (0.42) DGAT1ABL1NPC1RAB9ATP53

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
US-8013166-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2011-09-06 US disclosed
EP-1633722-B1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2011-08-03 EP disclosed