SCHEMBL7991114

SCHEMBL7991114

C[C@H](C=Cc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.53
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
STS P08842 1/20 0.46
MMP13 P45452 3/20 0.46
MMP1 P03956 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44

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
SCHEMBL7991112 1.00 GPR119 (0.53) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL12226278 0.84 GPR119 (0.47) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL7310710 0.82 GPR119 (0.53) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL7310730 0.82 GPR119 (0.53) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL20015682 0.80 GPR119 (0.57) GPR119KDM4EPKMSTSMEN1
SCHEMBL20015272 0.80 GPR119 (0.57) GPR119KDM4EPKMSTSMEN1
SCHEMBL24621773 0.80 GPR119 (0.60) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL6017427 0.78 GPR119 (0.46) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL6017431 0.78 GPR119 (0.46) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL6367327 0.78 GPR119 (0.55) GPR119KDM4EPKMNPC1RAB9A

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-6265434-B1 ANTIINFLAMMATORY AGENTS MERCK & CO., INC. 2001-07-24 US disclosed