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SCHEMBL9201381

SCHEMBL9201381

C=CCc1cc(C=CC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c(OCC)c(CC=C)c1OC(=O)C(C)(C)C.CC=CCc1cc(C=CC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c(OCC)c(CC=CC)c1OC(=O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 19/20 0.50
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38

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
SCHEMBL9201372 1.00 PTPN1 (0.50) PTPN1CYP1A1CYP1B1
SCHEMBL7182530 0.95 PTPN1 (0.44) PTPN1CYP1A1CYP1B1
SCHEMBL7182535 0.95 PTPN1 (0.44) PTPN1CYP1A1CYP1B1
SCHEMBL7185579 0.94 PTPN1 (0.55) PTPN1CYP1A1CYP1B1
SCHEMBL7185575 0.94 PTPN1 (0.55) PTPN1CYP1A1CYP1B1
SCHEMBL7803225 0.88 DPP4 (0.42) PTPN1CYP1A1CYP1B1
SCHEMBL7184383 0.88 DPP4 (0.42) PTPN1CYP1A1CYP1B1
SCHEMBL7183507 0.87 PTPN1 (0.49) PTPN1CYP1A1CYP1B1
SCHEMBL7183511 0.87 PTPN1 (0.49) PTPN1CYP1A1CYP1B1
SCHEMBL7183867 0.86 PTPN1 (0.45) PTPN1

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