SCHEMBL9111920

SCHEMBL9111920

CCCc1c(C=CC(=O)c2ccc(OC)cc2)cc(OC)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.64
ABCG2 Q9UNQ0 3/20 0.62
MAOB P27338 1/20 0.57
GABRA3 P34903 1/20 0.57
GABRA2 P47869 1/20 0.57
GABRB2 P47870 1/20 0.57
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
RAB9A P51151 1/20 0.55
DPP4 P27487 2/20 0.54
PTPN1 P18031 2/20 0.54
KRAS P01116 1/20 0.53
CYP1A1 P04798 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
SCHEMBL9111913 1.00 TNFRSF1A (0.64) TNFRSF1AABCG2MAOBGABRA3GABRA2
SCHEMBL9112991 0.93 DPP4 (0.59) TNFRSF1AABCG2MAOBMAPTLMNA
SCHEMBL9112998 0.93 DPP4 (0.59) TNFRSF1AABCG2MAOBMAPTLMNA
SCHEMBL9115103 0.93 CTSL (0.58) TNFRSF1AABCG2MAOBGABRA3GABRA2
SCHEMBL9113780 0.93 CTSL (0.58) TNFRSF1AABCG2MAOBGABRA3GABRA2
SCHEMBL9112950 0.92 DPP4 (0.61) TNFRSF1AABCG2MAPTLMNASMN1; SMN2
SCHEMBL9112959 0.92 DPP4 (0.61) TNFRSF1AABCG2MAPTLMNASMN1; SMN2
SCHEMBL9115272 0.89 PTPN1 (0.59) TNFRSF1AABCG2MAPTLMNASMN1; SMN2
SCHEMBL9115268 0.89 PTPN1 (0.59) TNFRSF1AABCG2MAPTLMNASMN1; SMN2
SCHEMBL9112006 0.89 MAOB (0.58) TNFRSF1AABCG2MAOBGABRA3GABRA2

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