SCHEMBL1748049

SCHEMBL1748049

CC1(C)OB(c2ccc(C(=O)C3CCC[C@@]3(C)C(=O)O)cc2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.41
LIPG Q9Y5X9 8/20 0.39
LPL P06858 7/20 0.39
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA9 Q16790 6/20 0.38
F11 P03951 3/20 0.38
F2 P00734 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
PDE4D Q08499 1/20 0.33

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
SCHEMBL1748048 1.00 P4HB (0.41) P4HBLIPGLPLCA1CA2
SCHEMBL1747986 1.00 P4HB (0.41) P4HBLIPGLPLCA1CA2
SCHEMBL1748045 0.79 ALDH1A1 (0.38) PDE4D
SCHEMBL1748043 0.79 ALDH1A1 (0.38) PDE4D
SCHEMBL1748044 0.79 ALDH1A1 (0.38) PDE4D
SCHEMBL180740 0.75 DGAT1 (0.45) P4HBLIPGLPLCA1CA2
SCHEMBL2311893 0.75 NPC1 (0.35) CA1CA2CA9CA12CA14
SCHEMBL2635172 0.75 DGAT1 (0.45) P4HBLIPGLPLCA1CA2
SCHEMBL2635174 0.75 DGAT1 (0.45) P4HBLIPGLPLCA1CA2
SCHEMBL2635176 0.75 DGAT1 (0.45) P4HBLIPGLPLCA1CA2

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 1 patent. 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