SCHEMBL9113547

SCHEMBL9113547

CCOc1ccc(C(=O)C=Cc2cc(OC(C)C)c(C(C)(C)C)c(OC(C)C)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
KDM4E B2RXH2 3/20 0.61
LMNA P02545 3/20 0.61
ALDH1A1 P00352 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MAOB P27338 11/20 0.59
MAOA P21397 1/20 0.59
ABCG2 Q9UNQ0 1/20 0.58
CYP1A1 P04798 1/20 0.57
CYP1B1 Q16678 1/20 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

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
SCHEMBL9112592 0.91 ABCG2 (0.60) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9113392 0.90 MAPT (0.68) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9115190 0.89 MAPT (0.67) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9115186 0.89 MAPT (0.67) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9240017 0.88 SLC5A1 (0.48) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9114927 0.88 SLC5A1 (0.48) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9113734 0.87 MAPT (0.76) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9114646 0.87 KRAS (0.62) MAPTLMNAALDH1A1MAOBMAOA
SCHEMBL9116020 0.86 MAPT (0.64) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9112594 0.86 MAOB (0.50) MAPTKDM4ELMNAALDH1A1SMN1; SMN2

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