SCHEMBL7364540

SCHEMBL7364540

COC(=O)COc1ccc(N2CCC([N+](C)(Cc3ccccc3)C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.52
STS P08842 1/20 0.46
TP53 P04637 1/20 0.46
YAP1 P46937 3/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL7365688 0.87 GPR119 (0.53) GPR119LMNAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL8473906 0.84 MAPK1 (0.41) MAPT
SCHEMBL8478702 0.82 GPR119 (0.51) GPR119STSTP53YAP1LMNA
SCHEMBL7364840 0.82 GPR119 (0.51) GPR119STSTP53YAP1LMNA
SCHEMBL8477312 0.80 GPR119 (0.48) GPR119STSTP53YAP1KDM4E
SCHEMBL7369010 0.80 MAPT (0.59) GPR119LMNAMAPTSMN1; SMN2
SCHEMBL7360159 0.80 GPR119 (0.53) GPR119LMNAMAPTSMN1; SMN2
SCHEMBL8477714 0.78 GPR119 (0.54) GPR119LMNAMAPTSMN1; SMN2
SCHEMBL7369003 0.78 GPR119 (0.50) GPR119LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL7364852 0.78 GPR119 (0.51) GPR119MAPT

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