SCHEMBL9111986

SCHEMBL9111986

COc1ccc(C(=O)C=Cc2cc(C)c(OC)cc2OC)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.72
ABCG2 Q9UNQ0 2/20 0.71
PTPN1 P18031 4/20 0.67
DPP4 P27487 3/20 0.67
MAOB P27338 1/20 0.64
MAPT P10636 3/20 0.62
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
HPGD P15428 1/20 0.62
KDM4E B2RXH2 1/20 0.62
ATM Q13315 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
NPC1 O15118 1/20 0.61
ALDH1A1 P00352 1/20 0.61
RAB9A P51151 1/20 0.61
GABRA3 P34903 1/20 0.60
GABRA2 P47869 1/20 0.60
GABRB2 P47870 1/20 0.60
KRAS P01116 1/20 0.59

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
SCHEMBL9111983 1.00 TNFRSF1A (0.72) TNFRSF1AABCG2PTPN1DPP4MAOB
SCHEMBL15155043 0.90 ABCG2 (0.88) TNFRSF1AABCG2PTPN1DPP4MAOB
SCHEMBL15155042 0.90 ABCG2 (0.88) TNFRSF1AABCG2PTPN1DPP4MAOB
SCHEMBL7184368 0.89 DPP4 (0.74) ABCG2PTPN1DPP4MAOB
SCHEMBL7184370 0.89 DPP4 (0.74) ABCG2PTPN1DPP4MAOB
SCHEMBL9112466 0.89 DPP4 (0.70) TNFRSF1AABCG2PTPN1DPP4MAOB
SCHEMBL9112464 0.89 DPP4 (0.70) TNFRSF1AABCG2PTPN1DPP4MAOB
SCHEMBL7189052 0.88 ABCG2 (0.69) TNFRSF1AABCG2PTPN1DPP4KRAS
SCHEMBL7189059 0.88 ABCG2 (0.69) TNFRSF1AABCG2PTPN1DPP4KRAS
SCHEMBL7187129 0.87 ABCG2 (0.61) TNFRSF1AABCG2PTPN1DPP4MAPT

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