Sugi Predict

Sugi Predict / Compounds / SCHEMBL9202268

SCHEMBL9202268

SCHEMBL9202268

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

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 15/20 0.47
▸ CAPN1 P07384 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 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
SCHEMBL9202277 1.00 PTPN1 (0.47) PTPN1CAPN1ABCG2
SCHEMBL7184363 0.95 PTPN1 (0.39) PTPN1CAPN1ABCG2
SCHEMBL7184359 0.95 PTPN1 (0.39) PTPN1CAPN1ABCG2
SCHEMBL7185052 0.94 PTPN1 (0.52) PTPN1CAPN1ABCG2
SCHEMBL7185047 0.94 PTPN1 (0.52) PTPN1CAPN1ABCG2
SCHEMBL7191694 0.88 CA1 (0.41) PTPN1ABCG2
SCHEMBL7191691 0.88 CA1 (0.41) PTPN1ABCG2
SCHEMBL7188881 0.88 PTPN1 (0.43) PTPN1
SCHEMBL7188878 0.88 PTPN1 (0.43) PTPN1
SCHEMBL7184399 0.85 CYP3A4 (0.36) PTPN1ABCG2

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