SCHEMBL9287340

SCHEMBL9287340

C=CCc1cc(C=CC(=O)c2ccc(N)cc2)c(OCC)c(CC=C)c1O.CC=CCc1cc(C=CC(=O)c2ccc(N)cc2)c(OCC)c(CC=CC)c1O

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 19/20 0.50
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL7186749 0.94 CTSL (0.44) PTPN1CTSLCTSB
SCHEMBL7186754 0.94 CTSL (0.44) PTPN1CTSLCTSB
SCHEMBL7189304 0.94 PTPN1 (0.55) PTPN1CTSLCTSB
SCHEMBL7189301 0.94 PTPN1 (0.55) PTPN1CTSLCTSB
SCHEMBL7184046 0.87 ABCG2 (0.47) PTPN1CTSLCTSB
SCHEMBL7184051 0.87 ABCG2 (0.47) PTPN1CTSLCTSB
SCHEMBL7186544 0.87 CTSL (0.43) PTPN1CTSLCTSB
SCHEMBL7179125 0.87 PTPN1 (0.48) PTPN1CTSLCTSB
SCHEMBL7179119 0.87 PTPN1 (0.48) PTPN1CTSLCTSB
SCHEMBL7186541 0.87 CTSL (0.43) PTPN1CTSLCTSB

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