SCHEMBL9197907

SCHEMBL9197907

CCCc1cc(/C=C/C(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c(OCC)cc1OC(=O)C(C)(C)C.CCOc1cc(OC(=O)C(C)(C)C)c(CC)cc1/C=C/C(=O)c1ccc(OC(=O)C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.48
DPP4 P27487 5/20 0.46
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL9197910 1.00 PTPN1 (0.48) PTPN1DPP4CYP1A1CYP1B1LMNA
SCHEMBL7185790 0.99 PTPN1 (0.49) PTPN1DPP4CYP1A1CYP1B1LMNA
SCHEMBL7185789 0.99 PTPN1 (0.49) PTPN1DPP4CYP1A1CYP1B1LMNA
SCHEMBL7184945 0.96 PTPN1 (0.50) PTPN1DPP4CYP1A1CYP1B1LMNA
SCHEMBL7184940 0.96 PTPN1 (0.50) PTPN1DPP4CYP1A1CYP1B1LMNA
SCHEMBL7183889 0.95 PTPN1 (0.52) PTPN1DPP4CYP1A1CYP1B1LMNA
SCHEMBL7183885 0.95 PTPN1 (0.52) PTPN1DPP4CYP1A1CYP1B1LMNA
SCHEMBL7191563 0.92 DPP4 (0.49) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL7191561 0.92 DPP4 (0.49) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL7190701 0.90 PTPN1 (0.60) PTPN1DPP4ABCG2

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