SCHEMBL9304614

SCHEMBL9304614

COC(=O)Cc1ccc(OCCCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.68
FAAH O00519 1/20 0.49
YAP1 P46937 2/20 0.49
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL1923068 0.97 GPR119 (0.67) GPR119FAAHYAP1ALDH1A1
SCHEMBL7322943 0.90 GPR119 (0.66) GPR119FAAHYAP1ALDH1A1
SCHEMBL1924373 0.86 GPR119 (0.70) GPR119FAAHYAP1
SCHEMBL7279217 0.86 GPR119 (0.60) GPR119FAAHYAP1
SCHEMBL2766618 0.85 GPR119 (0.58) GPR119YAP1
SCHEMBL7315022 0.85 GPR119 (0.64) GPR119FAAHYAP1
SCHEMBL7308698 0.84 GPR119 (0.63) GPR119FAAHYAP1
SCHEMBL1922313 0.84 KDM1A (0.50) GPR119
SCHEMBL7318758 0.84 GPR119 (0.74) GPR119FAAH
SCHEMBL7280692 0.83 GPR119 (0.62) GPR119FAAHYAP1

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-5358956-A Anticoagulant MERCK & CO., INC. (US) 1994-10-25 US disclosed