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SCHEMBL9206885

SCHEMBL9206885

CCCOc1c(/C=C/C(=O)c2ccc(OC(=O)C(C)(C)C)cc2)cc(C(C)C)c(OC(=O)C(C)(C)C)c1C(C)C.CCCOc1c(/C=C/C(=O)c2ccc(OC(=O)C(C)(C)C)cc2)cc(CCC)c(OC(=O)C(C)(C)C)c1CCC

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.37
▸ CYP1A1 P04798 3/20 0.37
▸ CYP1B1 Q16678 3/20 0.37
▸ ABCG2 Q9UNQ0 3/20 0.36
▸ PTPN1 P18031 6/20 0.34
▸ MAOB P27338 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9206887 1.00 DPP4 (0.37) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL7184063 0.91 DPP4 (0.43) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL7184059 0.91 DPP4 (0.43) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL7192590 0.90 DPP4 (0.43) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL7192583 0.90 DPP4 (0.43) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL7187929 0.86 PTPN1 (0.43) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL7187924 0.86 PTPN1 (0.43) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL7190178 0.85 CYP1A1 (0.43) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL7190179 0.85 CYP1A1 (0.43) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9199322 0.83 PTPN1 (0.41) 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
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 — — EP disclosed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 — — WO disclosed