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Sugi Predict / Compounds / SCHEMBL9207205

SCHEMBL9207205

SCHEMBL9207205

C/C=C/Cc1cc(C/C=C/C)c(OCCC)c(/C=C/C(=O)c2ccc(N)cc2)c1O.C=CCc1cc(CC=C)c(OCCC)c(/C=C/C(=O)c2ccc(N)cc2)c1O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 14/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ KRAS P01116 1/20 0.38
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ DPP4 P27487 2/20 0.36

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
SCHEMBL9207209 1.00 PTPN1 (0.40) PTPN1ABCG2CA1CA2KRAS
SCHEMBL7177716 0.95 PTPN1 (0.43) PTPN1ABCG2CA1CA2KRAS
SCHEMBL7177722 0.95 PTPN1 (0.43) PTPN1ABCG2CA1CA2KRAS
SCHEMBL7190229 0.95 ABCG2 (0.42) PTPN1ABCG2CA1CA2KRAS
SCHEMBL7190226 0.95 ABCG2 (0.42) PTPN1ABCG2CA1CA2KRAS
SCHEMBL7183518 0.88 ABCG2 (0.51) PTPN1ABCG2CTSLCTSBDPP4
SCHEMBL7183521 0.88 ABCG2 (0.51) PTPN1ABCG2CTSLCTSBDPP4
SCHEMBL7189583 0.87 ABCG2 (0.52) PTPN1ABCG2
SCHEMBL7189578 0.87 ABCG2 (0.52) PTPN1ABCG2
SCHEMBL7183517 0.87 CA1 (0.42) PTPN1ABCG2CA1CA2KRAS

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