SCHEMBL9112427

SCHEMBL9112427

CCCOc1ccc(C(=O)C=Cc2cc(C(C)(C)C)c(OCC)cc2OCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.56
CYP1A1 P04798 3/20 0.53
CYP1B1 Q16678 3/20 0.53
ABCG2 Q9UNQ0 2/20 0.52
PTPN1 P18031 4/20 0.51
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL9111072 0.96 DPP4 (0.53) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9112988 0.96 DPP4 (0.58) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9114316 0.94 DPP4 (0.56) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9113156 0.93 DPP4 (0.56) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9113374 0.91 DPP4 (0.53) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9112860 0.89 DPP4 (0.67) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9115674 0.89 PTPN1 (0.59) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9113118 0.89 PTPN1 (0.61) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9112838 0.88 DPP4 (0.58) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL7185059 0.88 PTPN1 (0.53) DPP4CYP1A1CYP1B1ABCG2PTPN1

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