SCHEMBL9113243

SCHEMBL9113243

CCOc1cc(OCC)c(/C=C/C(=O)c2ccc(OC)cc2)cc1C

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.60
ABCG2 Q9UNQ0 2/20 0.59
DPP4 P27487 4/20 0.57
TNFRSF1A P19438 1/20 0.57
GABRA3 P34903 1/20 0.54
GABRA2 P47869 1/20 0.54
GABRB2 P47870 1/20 0.54
PTPN1 P18031 4/20 0.54
KDM4E B2RXH2 3/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A1 P04798 1/20 0.54
CYP1B1 Q16678 1/20 0.54
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL9113247 1.00 MAOB (0.60) MAOBABCG2DPP4TNFRSF1AGABRA3
SCHEMBL9113757 0.93 DPP4 (0.60) MAOBABCG2DPP4PTPN1KDM4E
SCHEMBL9113194 0.91 DPP4 (0.59) MAOBABCG2DPP4TNFRSF1AGABRA3
SCHEMBL9114453 0.91 DPP4 (0.59) MAOBABCG2DPP4TNFRSF1AGABRA3
SCHEMBL9113737 0.88 DPP4 (0.59) MAOBABCG2DPP4PTPN1KDM4E
SCHEMBL9113746 0.88 DPP4 (0.59) MAOBABCG2DPP4PTPN1KDM4E
SCHEMBL9112464 0.88 DPP4 (0.70) MAOBABCG2DPP4TNFRSF1APTPN1
SCHEMBL9112466 0.88 DPP4 (0.70) MAOBABCG2DPP4TNFRSF1APTPN1
SCHEMBL7191057 0.88 CAPN1 (0.56) MAOBABCG2DPP4PTPN1KDM4E
SCHEMBL7191059 0.88 CAPN1 (0.56) MAOBABCG2DPP4PTPN1KDM4E

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