SCHEMBL9115935

SCHEMBL9115935

CCCOc1ccc(C(=O)C=Cc2cc(OCCC)cc(OCCC)c2C)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.61
CYP1A1 P04798 3/20 0.60
CYP1B1 Q16678 3/20 0.60
ABCG2 Q9UNQ0 3/20 0.57
PTPN1 P18031 3/20 0.55
TNFRSF1A P19438 1/20 0.51
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48

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
SCHEMBL9118097 0.98 DPP4 (0.59) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9113901 0.96 DPP4 (0.58) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9114554 0.95 CYP1A1 (0.61) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9233466 0.94 DPP4 (0.58) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9233470 0.94 DPP4 (0.58) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9116673 0.93 ABCG2 (0.61) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9112824 0.92 PTPN1 (0.55) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9112583 0.92 DPP4 (0.58) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9115148 0.91 DPP4 (0.65) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9115154 0.91 DPP4 (0.65) DPP4CYP1A1CYP1B1ABCG2PTPN1

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