SCHEMBL9114446

SCHEMBL9114446

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.54
ABCG2 Q9UNQ0 2/20 0.52
GABRA3 P34903 1/20 0.51
GABRA2 P47869 1/20 0.51
GABRB2 P47870 1/20 0.51
MAOB P27338 3/20 0.48
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
DPP4 P27487 2/20 0.46
PTPN1 P18031 1/20 0.46
F3 P13726 1/20 0.45
CYP1A1 P04798 1/20 0.45

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
SCHEMBL9114434 1.00 TNFRSF1A (0.54) TNFRSF1AABCG2GABRA3GABRA2GABRB2
SCHEMBL9114006 0.91 DPP4 (0.48) ABCG2MAOBMAPTLMNASMN1; SMN2
SCHEMBL9114023 0.91 DPP4 (0.48) ABCG2MAOBMAPTLMNASMN1; SMN2
SCHEMBL9114298 0.90 CAPN1 (0.46) ABCG2MAOBDPP4PTPN1
SCHEMBL9112043 0.90 CAPN1 (0.46) ABCG2MAOBDPP4PTPN1
SCHEMBL9114929 0.87 PTPN1 (0.49) TNFRSF1AABCG2MAPTSMN1; SMN2NPC1
SCHEMBL9114936 0.87 PTPN1 (0.49) TNFRSF1AABCG2MAPTSMN1; SMN2NPC1
SCHEMBL9111913 0.87 TNFRSF1A (0.64) TNFRSF1AABCG2GABRA3GABRA2GABRB2
SCHEMBL9111920 0.87 TNFRSF1A (0.64) TNFRSF1AABCG2GABRA3GABRA2GABRB2
SCHEMBL9115678 0.86 PTPN1 (0.56) TNFRSF1AABCG2GABRA3GABRA2GABRB2

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