SCHEMBL7364473

SCHEMBL7364473

CCOC(=O)COc1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.53
ALDH1A1 P00352 5/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 7/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 1/20 0.47
ABCB1 P08183 1/20 0.47
LMNA P02545 2/20 0.46
PDK2 Q15119 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
TP53 P04637 2/20 0.45
POLB P06746 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
ENPP2 Q13822 1/20 0.45

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
SCHEMBL7365434 0.88 GPR119 (0.53) GPR119ATMMAPTMAPK1TP53
SCHEMBL12814098 0.88 NPSR1 (0.55) GPR119ALDH1A1ATMMAPTMAPK1
SCHEMBL8226185 0.83 L3MBTL1 (0.55) GPR119ALDH1A1MAPTMAPK1HTT
SCHEMBL8259577 0.83 TSHR (0.52) GPR119ALDH1A1MAPTMAPK1HTT
SCHEMBL8661802 0.83 NPSR1 (0.51) GPR119ALDH1A1ATMMAPTHTT
SCHEMBL8325276 0.83 NPSR1 (0.51) GPR119ALDH1A1ATMMAPTHTT
SCHEMBL18551089 0.83 CKS1B (0.47) GPR119
SCHEMBL32688003 0.82 GPR119 (0.52) GPR119ALDH1A1MAPTMAPK1HTT
SCHEMBL5683300 0.81 GPR119 (0.53) GPR119ALDH1A1MAPTMAPK1HTT
SCHEMBL674604 0.81 GPR119 (0.56) GPR119ALDH1A1MAPTMAPK1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994356-A ANTICOAGULANT KARL THOMAE (DE) 1999-11-30 US disclosed
EP-0892783-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION Dr. Karl Thomae GmbH (DE) 1999-01-27 EP disclosed
WO-1997037975-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION DR. KARL THOMAE GMBH (DE) 1997-10-16 WO disclosed