SCHEMBL2309580

SCHEMBL2309580

C[C@@]1(C(=O)O)CCC[C@H]1C(=O)c1ccc(-c2ccc(NC=O)c(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.41
DHODH Q02127 7/20 0.35
KDM5A P29375 1/20 0.33
PDE4D Q08499 1/20 0.33
ABCB1 P08183 2/20 0.32
JMJD7 P0C870 1/20 0.32
NR4A1 P22736 1/20 0.32
NR4A2 P43354 1/20 0.32
NR4A3 Q92570 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
CYP17A1 P05093 1/20 0.32
ABCC1 P33527 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL1748172 0.83 DGAT1 (0.36) DGAT1PDE4DKDM4ELMNAHSD17B10
SCHEMBL1748065 0.77 DGAT1 (0.41) DGAT1KDM4EHSD17B10
SCHEMBL5983523 0.76 DGAT1 (0.67) DGAT1
SCHEMBL2635153 0.76 DGAT1 (0.67) DGAT1
SCHEMBL1748238 0.76 DGAT1 (0.42) DGAT1KDM4EHSD17B10
SCHEMBL14074138 0.75 DGAT1 (0.52) DGAT1
SCHEMBL2311893 0.75 NPC1 (0.35) DGAT1PDE4DHSD17B10
SCHEMBL1748122 0.75 DGAT1 (0.50) DGAT1KDM4ELMNA
SCHEMBL1748077 0.74 DGAT1 (0.55) DGAT1DHODHABCB1
SCHEMBL1747931 0.74 DGAT1 (0.55) DGAT1DHODHABCB1

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