SCHEMBL9114532

SCHEMBL9114532

CCCc1cc(/C=C/C(=O)c2ccc(OC)cc2)c(OCC)cc1OCC

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.56
PTPN1 P18031 4/20 0.56
ABCG2 Q9UNQ0 2/20 0.55
DPP4 P27487 7/20 0.54
TNFRSF1A P19438 1/20 0.54
GABRA3 P34903 1/20 0.51
GABRA2 P47869 1/20 0.51
GABRB2 P47870 1/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A1 P04798 1/20 0.51
CYP1B1 Q16678 1/20 0.51

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
SCHEMBL9113362 1.00 MAOB (0.56) MAOBPTPN1ABCG2DPP4TNFRSF1A
SCHEMBL9111725 0.93 PTPN1 (0.58) MAOBPTPN1ABCG2DPP4KDM4E
SCHEMBL9114718 0.93 PTPN1 (0.58) MAOBPTPN1ABCG2DPP4KDM4E
SCHEMBL9114308 0.92 DPP4 (0.57) MAOBPTPN1ABCG2DPP4TNFRSF1A
SCHEMBL9110804 0.92 PTPN1 (0.57) MAOBPTPN1ABCG2DPP4TNFRSF1A
SCHEMBL9112369 0.90 DPP4 (0.57) MAOBPTPN1ABCG2DPP4KDM4E
SCHEMBL9241078 0.90 TNFRSF1A (0.64) MAOBPTPN1ABCG2DPP4TNFRSF1A
SCHEMBL9241073 0.90 TNFRSF1A (0.64) MAOBPTPN1ABCG2DPP4TNFRSF1A
SCHEMBL9240614 0.89 PTPN1 (0.67) MAOBPTPN1ABCG2DPP4TNFRSF1A
SCHEMBL9240615 0.89 PTPN1 (0.67) MAOBPTPN1ABCG2DPP4TNFRSF1A

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 disclosed