SCHEMBL9113872

SCHEMBL9113872

CCOc1ccc(C(=O)/C=C/c2cc(OC(C)(C)C)cc(OC(C)(C)C)c2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.56
CYP1A1 P04798 2/20 0.55
CYP1B1 Q16678 2/20 0.55
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAOB P27338 10/20 0.52
PTPN1 P18031 1/20 0.50
MAOA P21397 1/20 0.50
ABCG2 Q9UNQ0 2/20 0.49

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
SCHEMBL9113878 1.00 DPP4 (0.56) DPP4CYP1A1CYP1B1KDM4ELMNA
SCHEMBL9114596 0.91 DPP4 (0.58) DPP4CYP1A1CYP1B1KDM4ELMNA
SCHEMBL9114600 0.91 DPP4 (0.58) DPP4CYP1A1CYP1B1KDM4ELMNA
SCHEMBL9113870 0.89 TNFRSF1A (0.61) DPP4CYP1A1CYP1B1KDM4ELMNA
SCHEMBL9113865 0.89 TNFRSF1A (0.61) DPP4CYP1A1CYP1B1KDM4ELMNA
SCHEMBL9113604 0.88 PTPN1 (0.55) DPP4CYP1A1CYP1B1KDM4ELMNA
SCHEMBL9113597 0.88 PTPN1 (0.55) DPP4CYP1A1CYP1B1KDM4ELMNA
SCHEMBL9113296 0.88 MAOB (0.53) DPP4CYP1A1CYP1B1KDM4ELMNA
SCHEMBL9112215 0.87 CYP1A1 (0.61) DPP4CYP1A1CYP1B1KDM4ELMNA
SCHEMBL7191026 0.87 DPP4 (0.59) DPP4CYP1A1CYP1B1KDM4ELMNA

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