SCHEMBL9112500

SCHEMBL9112500

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

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.51
CYP1A1 P04798 2/20 0.50
CYP1B1 Q16678 2/20 0.50
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
SCHEMBL9112496 1.00 DPP4 (0.51) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL9114025 0.92 PTPN1 (0.56) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL9114030 0.92 PTPN1 (0.56) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL9111732 0.90 PTPN1 (0.56) PTPN1ABCG2
SCHEMBL9111743 0.90 PTPN1 (0.56) PTPN1ABCG2
SCHEMBL9114826 0.89 DPP4 (0.53) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL9115500 0.88 PTPN1 (0.56) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL9115495 0.88 PTPN1 (0.56) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL9115199 0.88 DPP4 (0.53) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL9115271 0.87 ABCG2 (0.55) DPP4CYP1A1CYP1B1PTPN1ABCG2

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