SCHEMBL9113326

SCHEMBL9113326

C=CCc1c(/C=C/C(=O)c2ccc(OCCC)cc2)cc(OC(C)C)cc1OC(C)C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.48
CYP1A1 P04798 2/20 0.48
CYP1B1 Q16678 2/20 0.48
PTPN1 P18031 12/20 0.47
ABCG2 Q9UNQ0 2/20 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
SCHEMBL9113333 1.00 DPP4 (0.48) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL9114610 0.92 PTPN1 (0.56) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL9114615 0.92 PTPN1 (0.56) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL9111700 0.90 PTPN1 (0.56) PTPN1ABCG2
SCHEMBL9111705 0.90 PTPN1 (0.56) PTPN1ABCG2
SCHEMBL9115678 0.88 PTPN1 (0.56) DPP4PTPN1ABCG2
SCHEMBL9115673 0.88 PTPN1 (0.56) DPP4PTPN1ABCG2
SCHEMBL9115199 0.88 DPP4 (0.53) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL9241047 0.87 ABCG2 (0.55) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL9113069 0.87 PTPN1 (0.53) DPP4PTPN1ABCG2

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
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO claimed