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SCHEMBL9207698

SCHEMBL9207698

C=CCc1cc(C=CC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c(OCC)cc1OC(=O)C(C)(C)C.CC=CCc1cc(C=CC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c(OCC)cc1OC(=O)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 19/20 0.56
▸ ELANE P08246 1/20 0.43

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
SCHEMBL9207691 1.00 PTPN1 (0.56) PTPN1ELANE
SCHEMBL7184263 0.96 PTPN1 (0.48) PTPN1
SCHEMBL7184260 0.96 PTPN1 (0.48) PTPN1
SCHEMBL7191266 0.95 PTPN1 (0.61) PTPN1ELANE
SCHEMBL7191271 0.95 PTPN1 (0.61) PTPN1ELANE
SCHEMBL7184966 0.92 PTPN1 (0.62) PTPN1
SCHEMBL7184957 0.92 PTPN1 (0.62) PTPN1
SCHEMBL9275121 0.89 PTPN1 (0.53) PTPN1
SCHEMBL9275113 0.89 PTPN1 (0.53) PTPN1
SCHEMBL7178881 0.89 DPP4 (0.46) 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