SCHEMBL9274740

SCHEMBL9274740

C=CC(C)(C)c1cc(/C=C/C(=O)c2ccc(N)cc2)c(OCC)cc1O.CCCOc1cc(O)c(C)cc1/C=C/C(=O)c1ccc(N)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 14/20 0.56
▸ DPP4 P27487 6/20 0.56
▸ IDH1 O75874 1/20 0.56
▸ ABCB1 P08183 1/20 0.56
▸ UGT1A1 P22309 1/20 0.56
▸ ABCC1 P33527 1/20 0.56
▸ PRMT6 Q96LA8 1/20 0.56
▸ ABCG2 Q9UNQ0 1/20 0.56
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39

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
SCHEMBL9274744 1.00 PTPN1 (0.56) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL7183852 0.93 PTPN1 (0.64) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL7183855 0.93 PTPN1 (0.64) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL7177534 0.91 PTPN1 (0.66) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL7177537 0.91 PTPN1 (0.66) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL7185991 0.86 PTPN1 (0.56) PTPN1DPP4ABCG2CTSLCTSB
SCHEMBL7185985 0.86 PTPN1 (0.56) PTPN1DPP4ABCG2CTSLCTSB
SCHEMBL7187188 0.86 PTPN1 (0.76) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL7177521 0.86 PTPN1 (0.59) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL7187194 0.86 PTPN1 (0.76) PTPN1DPP4IDH1ABCB1UGT1A1

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
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