SCHEMBL9114615

SCHEMBL9114615

C=CCc1c(C=CC(=O)c2ccc(OCC)cc2)cc(OC(C)C)cc1OC(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.56
DPP4 P27487 2/20 0.47
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOB P27338 6/20 0.46
MAOA P21397 1/20 0.46
ABCG2 Q9UNQ0 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
SCHEMBL9114610 1.00 PTPN1 (0.56) PTPN1DPP4CYP1A1CYP1B1KDM4E
SCHEMBL9113333 0.92 DPP4 (0.48) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9113326 0.92 DPP4 (0.48) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9111700 0.92 PTPN1 (0.56) PTPN1ABCG2
SCHEMBL9111705 0.92 PTPN1 (0.56) PTPN1ABCG2
SCHEMBL9115678 0.90 PTPN1 (0.56) PTPN1DPP4KDM4ELMNAMAPT
SCHEMBL9115673 0.90 PTPN1 (0.56) PTPN1DPP4KDM4ELMNAMAPT
SCHEMBL9113069 0.89 PTPN1 (0.53) PTPN1DPP4MAOBABCG2
SCHEMBL9112411 0.89 PTPN1 (0.53) PTPN1DPP4MAOBABCG2
SCHEMBL9114023 0.88 DPP4 (0.48) PTPN1DPP4CYP1A1CYP1B1KDM4E

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