SCHEMBL9112450

SCHEMBL9112450

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.56
ABCG2 Q9UNQ0 1/20 0.46
TNFRSF1A P19438 1/20 0.46
FLT3 P36888 1/20 0.45
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43

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
SCHEMBL9112446 1.00 PTPN1 (0.56) PTPN1ABCG2TNFRSF1AFLT3GABRA3
SCHEMBL7183738 0.90 PTPN1 (0.59) PTPN1ABCG2
SCHEMBL7796233 0.90 PTPN1 (0.56) PTPN1TNFRSF1AFLT3
SCHEMBL7185741 0.90 PTPN1 (0.56) PTPN1TNFRSF1AFLT3
SCHEMBL9111705 0.89 PTPN1 (0.56) PTPN1ABCG2TNFRSF1AFLT3
SCHEMBL9111700 0.89 PTPN1 (0.56) PTPN1ABCG2TNFRSF1AFLT3
SCHEMBL9114051 0.88 DPP4 (0.54) PTPN1ABCG2TNFRSF1A
SCHEMBL9115825 0.88 PTPN1 (0.50) PTPN1ABCG2TNFRSF1AFLT3
SCHEMBL9114936 0.87 PTPN1 (0.49) PTPN1ABCG2TNFRSF1AFLT3
SCHEMBL9114929 0.87 PTPN1 (0.49) PTPN1ABCG2TNFRSF1AFLT3

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