SCHEMBL9112664

SCHEMBL9112664

CCCc1c(/C=C/C(=O)c2ccc(O)cc2)cc(OC(C)(C)C)cc1OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
DPP4 P27487 6/20 0.46
ABCG2 Q9UNQ0 5/20 0.44
MAOB P27338 2/20 0.44
PTPN1 P18031 4/20 0.43
IDH1 O75874 1/20 0.43
ABCB1 P08183 1/20 0.43
UGT1A1 P22309 1/20 0.43
ABCC1 P33527 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
CHRNA7 P36544 1/20 0.42

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
SCHEMBL9112668 1.00 CAPN1 (0.46) CAPN1CTSLCTSBTDP1DPP4
SCHEMBL9113717 0.90 TNFRSF1A (0.54) DPP4ABCG2MAOBPTPN1
SCHEMBL9113713 0.90 TNFRSF1A (0.54) DPP4ABCG2MAOBPTPN1
SCHEMBL9115077 0.89 DPP4 (0.51) DPP4ABCG2MAOBPTPN1
SCHEMBL9114826 0.89 DPP4 (0.53) DPP4ABCG2PTPN1
SCHEMBL9110966 0.86 PTPN1 (0.53) CAPN1CTSLCTSBTDP1DPP4
SCHEMBL9112493 0.86 PTPN1 (0.53) CAPN1CTSLCTSBTDP1DPP4
SCHEMBL9115802 0.86 PTPN1 (0.49) DPP4ABCG2PTPN1
SCHEMBL9115797 0.86 PTPN1 (0.49) DPP4ABCG2PTPN1
SCHEMBL9114795 0.84 ABCG2 (0.50) CTSLTDP1ABCG2MAOB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO claimed