SCHEMBL9113477

SCHEMBL9113477

CCOc1ccc(C(=O)/C=C/c2cc(OC(C)(C)C)c(C)c(OC(C)(C)C)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
KDM4E B2RXH2 3/20 0.65
LMNA P02545 3/20 0.65
ALDH1A1 P00352 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
MAOB P27338 11/20 0.62
MAOA P21397 1/20 0.60
ABCG2 Q9UNQ0 1/20 0.58
CYP1A1 P04798 2/20 0.57
CYP1B1 Q16678 2/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
POLB P06746 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
DPP4 P27487 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
SCHEMBL9113482 1.00 MAPT (0.65) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9113683 0.91 ABCG2 (0.60) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9116020 0.89 MAPT (0.64) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9112049 0.89 MAPT (0.73) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9112054 0.89 MAPT (0.73) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9115211 0.87 MAPT (0.61) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9113782 0.87 KDM4E (0.50) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9113775 0.87 KDM4E (0.50) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9113160 0.86 KRAS (0.66) MAPTALDH1A1MAOBMAOAABCG2
SCHEMBL9113175 0.86 KRAS (0.66) MAPTALDH1A1MAOBMAOAABCG2

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