SCHEMBL8690140

SCHEMBL8690140

CC(C)(C)Oc1ccc(C[C@H](N)C(=O)N2CCC(C(C(=O)O)C(C)(C)C)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.45
DPP4 P27487 2/20 0.43
PTPN1 P18031 1/20 0.42
FAP Q12884 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
POLB P06746 1/20 0.41
HRH2 P25021 3/20 0.41
HRH1 P35367 3/20 0.41
ACACB O00763 2/20 0.40
EPHX2 P34913 1/20 0.39
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
AKT3 Q9Y243 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
OPRK1 P41145 1/20 0.38

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
SCHEMBL8879474 0.81 ITGB3 (0.48) OPRD1DPP4PTPN1FAPDPP8
SCHEMBL8690139 0.78 DPP4 (0.42) OPRD1DPP4PTPN1FAPDPP8
SCHEMBL8692681 0.76 HRH2 (0.44) OPRD1DPP4DPP8DPP7HRH2
SCHEMBL4925087 0.76 HDAC3 (0.48) DPP4FAPDPP8DPP9DPP7
SCHEMBL4925083 0.76 HDAC3 (0.48) DPP4FAPDPP8DPP9DPP7
SCHEMBL2118353 0.75 PTPN1 (0.68) PTPN1ACACB
SCHEMBL1258519 0.75 PTPN1 (0.68) PTPN1ACACB
SCHEMBL2867832 0.75 PTPN1 (0.68) PTPN1ACACB
Hydrochloric Acid SCHEMBL2309162 0.74 PTPN1 (0.67) PTPN1ACACB
SCHEMBL7440658 0.72 DPP4 (0.57) OPRD1DPP4FAPDPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5747522-A ANTICOAGULANTS; ANTIINFLAMMATORY AGENTS; ANTITUMOR AGENTS HOFFMAN-LA ROCHE INC. (US) 1998-05-05 US disclosed
US-5670515-A TREATMENT OF THROMBOSIS, STROKE, CARDIAC INFARCT, INFLAMMATION, AND ARTERIOSCLEROSIS; ANTITUMOR AGENTS, WOUND HEALING AGENTS HOFFMANN-LA ROCHE INC. (US) 1997-09-23 US disclosed