SCHEMBL9112824

SCHEMBL9112824

C=CCOc1ccc(C(=O)C=Cc2cc(OCCC)cc(OCCC)c2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.55
DPP4 P27487 3/20 0.54
CYP1A1 P04798 2/20 0.53
CYP1B1 Q16678 2/20 0.53
ABCG2 Q9UNQ0 3/20 0.50
TNFRSF1A P19438 1/20 0.45
FLT3 P36888 1/20 0.44

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
SCHEMBL9112250 0.96 PTPN1 (0.55) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9115935 0.92 DPP4 (0.61) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9118097 0.90 DPP4 (0.59) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9115041 0.89 PTPN1 (0.57) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9115047 0.89 PTPN1 (0.57) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9113901 0.89 DPP4 (0.58) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL7803217 0.88 CYP1A1 (0.61) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9114554 0.88 CYP1A1 (0.61) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9111803 0.88 PTPN1 (0.51) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9113710 0.88 PTPN1 (0.56) PTPN1DPP4CYP1A1CYP1B1ABCG2

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