SCHEMBL4738908

SCHEMBL4738908

CC(C)(C)OC(=O)NC1(CC(=O)O)CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.44
KDM1A O60341 4/20 0.40
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
EPHX2 P34913 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
BACE1 P56817 1/20 0.36
DRD2 P14416 3/20 0.36
NR1I3 Q14994 1/20 0.36
PPIA P62937 1/20 0.36
NAMPT P43490 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
SCHEMBL306307 0.79 GHSR (0.43) GHSRKDM1ADPP8DPP9HDAC9
SCHEMBL18614341 0.79 GHSR (0.43) GHSRKDM1ADPP8DPP9HDAC9
SCHEMBL4837190 0.79 GHSR (0.43) GHSRKDM1ADPP8DPP9HDAC9
SCHEMBL23223760 0.78 GHSR (0.45) GHSRKDM1ADPP8DPP9HDAC9
SCHEMBL18088760 0.78 GHSR (0.45) GHSRKDM1ADPP8DPP9HDAC9
SCHEMBL28749183 0.76 HDAC9 (0.38) HDAC9HCAR2
SCHEMBL28749180 0.76 HDAC9 (0.38) HDAC9HCAR2
SCHEMBL29689812 0.76 HDAC9 (0.38) HDAC9HCAR2
SCHEMBL28749175 0.76 HDAC9 (0.38) HDAC9HCAR2
SCHEMBL28749177 0.76 HDAC9 (0.38) HDAC9HCAR2

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
WO-2008071765-A1 PHARMACEUTICALLY ACTIVE SPIRO-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NYCOMED GMBH (DE) 2008-06-19 WO disclosed