SCHEMBL9115802

SCHEMBL9115802

C=CCOc1ccc(C(=O)C=Cc2cc(OC(C)(C)C)cc(OC(C)(C)C)c2CCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.49
DPP4 P27487 5/20 0.42
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
FLT3 P36888 1/20 0.39
TNFRSF1A P19438 1/20 0.39

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
SCHEMBL9115797 1.00 PTPN1 (0.49) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9111732 0.90 PTPN1 (0.56) PTPN1ABCG2FLT3TNFRSF1A
SCHEMBL9111743 0.90 PTPN1 (0.56) PTPN1ABCG2FLT3TNFRSF1A
SCHEMBL9115077 0.90 DPP4 (0.51) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9114826 0.89 DPP4 (0.53) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9113218 0.87 KDM4E (0.49) PTPN1CYP1A1CYP1B1ABCG2FLT3
SCHEMBL9113211 0.87 KDM4E (0.49) PTPN1CYP1A1CYP1B1ABCG2FLT3
SCHEMBL9113717 0.87 TNFRSF1A (0.54) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9113713 0.87 TNFRSF1A (0.54) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9113597 0.86 PTPN1 (0.55) 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