SCHEMBL9112860

SCHEMBL9112860

CCCOc1ccc(C(=O)C=Cc2cc(C(C)(C)C)c(OC)cc2OC)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.67
CYP1A1 P04798 2/20 0.63
CYP1B1 Q16678 2/20 0.63
PTPN1 P18031 9/20 0.62
ABCG2 Q9UNQ0 3/20 0.56
TNFRSF1A P19438 1/20 0.52

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
SCHEMBL9114676 0.91 DPP4 (0.66) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL9112988 0.91 DPP4 (0.58) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL9112427 0.89 DPP4 (0.56) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL9115674 0.89 PTPN1 (0.59) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL9114316 0.89 DPP4 (0.56) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL9112838 0.88 DPP4 (0.58) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL9112370 0.87 PTPN1 (0.78) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL9111072 0.87 DPP4 (0.53) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL9113773 0.86 DPP4 (0.53) DPP4CYP1A1CYP1B1PTPN1ABCG2
SCHEMBL7189647 0.86 PTPN1 (0.67) DPP4PTPN1ABCG2

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