SCHEMBL9115138

SCHEMBL9115138

C=CCc1c(C=CC(=O)c2ccc(OC)cc2)cc(OCCC)cc1OCCC

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.55
CYP1A1 P04798 1/20 0.55
CYP1B1 Q16678 1/20 0.55
DPP4 P27487 3/20 0.53
TNFRSF1A P19438 1/20 0.52
ABCG2 Q9UNQ0 2/20 0.50
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49

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
SCHEMBL9115078 0.96 PTPN1 (0.55) PTPN1CYP1A1CYP1B1DPP4TNFRSF1A
SCHEMBL9115199 0.95 DPP4 (0.53) PTPN1CYP1A1CYP1B1DPP4TNFRSF1A
SCHEMBL9114443 0.93 PTPN1 (0.52) PTPN1CYP1A1CYP1B1DPP4ABCG2
SCHEMBL9113330 0.92 PTPN1 (0.56) PTPN1CYP1A1CYP1B1DPP4ABCG2
SCHEMBL9112315 0.92 DPP4 (0.58) PTPN1CYP1A1CYP1B1DPP4TNFRSF1A
SCHEMBL9112313 0.92 DPP4 (0.58) PTPN1CYP1A1CYP1B1DPP4TNFRSF1A
SCHEMBL9113710 0.91 PTPN1 (0.56) PTPN1CYP1A1CYP1B1DPP4ABCG2
SCHEMBL9110716 0.91 ABCG2 (0.56) PTPN1CYP1A1CYP1B1DPP4ABCG2
SCHEMBL9114923 0.90 PTPN1 (0.56) PTPN1CYP1A1CYP1B1DPP4ABCG2
SCHEMBL9112844 0.90 PTPN1 (0.61) PTPN1CYP1A1CYP1B1DPP4TNFRSF1A

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