SCHEMBL9201155

SCHEMBL9201155

CCCOc1c(/C=C/C(=O)c2ccc(O)cc2)cc(C(C)C)c(O)c1C(C)C.CCCOc1c(/C=C/C(=O)c2ccc(O)cc2)cc(CCC)c(O)c1CCC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.42
PTPN1 P18031 5/20 0.37
MAOB P27338 2/20 0.37
DPP4 P27487 2/20 0.37
CAPN1 P07384 2/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
CHRNA7 P36544 1/20 0.34

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
SCHEMBL9201160 1.00 ABCG2 (0.42) ABCG2PTPN1MAOBDPP4CAPN1
SCHEMBL9203888 0.95 ABCG2 (0.41) ABCG2PTPN1MAOBDPP4CAPN1
SCHEMBL9203896 0.95 ABCG2 (0.41) ABCG2PTPN1MAOBDPP4CAPN1
SCHEMBL7191098 0.90 ABCG2 (0.51) ABCG2PTPN1MAOBDPP4CAPN1
SCHEMBL7191096 0.90 ABCG2 (0.51) ABCG2PTPN1MAOBDPP4CAPN1
SCHEMBL7182906 0.89 ABCG2 (0.52) ABCG2PTPN1MAOBDPP4CAPN1
SCHEMBL7182909 0.89 ABCG2 (0.52) ABCG2PTPN1MAOBDPP4CAPN1
SCHEMBL7180100 0.84 ABCG2 (0.49) ABCG2PTPN1MAOBDPP4CAPN1
SCHEMBL7180096 0.84 ABCG2 (0.49) ABCG2PTPN1MAOBDPP4CAPN1
SCHEMBL7189009 0.83 ABCG2 (0.50) ABCG2PTPN1MAOBDPP4CAPN1

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