SCHEMBL9202115

SCHEMBL9202115

CCc1cc(/C=C/C(=O)c2ccc(O)cc2)c(OC)c(CC)c1O.COc1cc(O)c(C)cc1/C=C/C(=O)c1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.58
DPP4 P27487 7/20 0.55
CAPN1 P07384 1/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
IDH1 O75874 1/20 0.50
ABCB1 P08183 1/20 0.50
UGT1A1 P22309 1/20 0.50
ABCC1 P33527 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50

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
SCHEMBL9202119 1.00 PTPN1 (0.58) PTPN1DPP4CAPN1CTSLCTSB
SCHEMBL7804847 0.89 PTPN1 (0.56) PTPN1DPP4CAPN1CTSLCTSB
SCHEMBL7804846 0.89 PTPN1 (0.56) PTPN1DPP4CAPN1CTSLCTSB
SCHEMBL7185952 0.84 DPP4 (0.74) PTPN1DPP4CAPN1CTSLCTSB
SCHEMBL7185947 0.84 DPP4 (0.74) PTPN1DPP4CAPN1CTSLCTSB
SCHEMBL7192034 0.82 PTPN1 (0.78) PTPN1DPP4CAPN1CTSLCTSB
SCHEMBL7192031 0.82 PTPN1 (0.78) PTPN1DPP4CAPN1CTSLCTSB
SCHEMBL7192730 0.80 CTSL (0.54) PTPN1CAPN1CTSLCTSBTDP1
SCHEMBL7192735 0.80 CTSL (0.54) PTPN1CAPN1CTSLCTSBTDP1
SCHEMBL7192082 0.79 ABCG2 (0.52) PTPN1DPP4CAPN1CTSLCTSB

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