SCHEMBL9112838

SCHEMBL9112838

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

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.58
CYP1A1 P04798 2/20 0.52
CYP1B1 Q16678 2/20 0.52
ABCG2 Q9UNQ0 4/20 0.51
PTPN1 P18031 8/20 0.50

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
SCHEMBL9113899 0.91 DPP4 (0.56) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9112988 0.90 DPP4 (0.58) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9114960 0.88 DPP4 (0.59) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9114967 0.88 DPP4 (0.59) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9112860 0.88 DPP4 (0.67) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9114316 0.88 DPP4 (0.56) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9112427 0.88 DPP4 (0.56) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL7177845 0.86 PTPN1 (0.55) DPP4ABCG2PTPN1
SCHEMBL9241129 0.86 DPP4 (0.57) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL7177841 0.86 PTPN1 (0.55) DPP4ABCG2PTPN1

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