SCHEMBL9112385

SCHEMBL9112385

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

nearest known ligand 0.61

Predicted protein targets (top 17)

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 0.56
MAOA P21397 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.55
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
POLB P06746 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP1A1 P04798 2/20 0.51
CYP1B1 Q16678 2/20 0.51
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL9112383 1.00 MAPT (0.61) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9115375 0.92 ABCG2 (0.58) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9115380 0.92 ABCG2 (0.58) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9112912 0.90 KRAS (0.59) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9112916 0.90 KRAS (0.59) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9111931 0.90 MAPT (0.68) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9111936 0.90 MAPT (0.68) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9114460 0.89 KDM4E (0.49) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9114455 0.89 KDM4E (0.49) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9115186 0.89 MAPT (0.67) 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