SCHEMBL9775784

SCHEMBL9775784

CCCCCCCc1cccc(CCc2ccc(OCCCCCC)c(Cl)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
GLA P06280 1/20 0.60
MEN1 O00255 2/20 0.52
NPC1 O15118 2/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.52
CSNK2A1 P68400 2/20 0.51
S1PR2 O95136 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
LPAR2 Q9HBW0 1/20 0.50
HTT P42858 2/20 0.48
BACE1 P56817 1/20 0.48
ATM Q13315 1/20 0.47
APAF1 O14727 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL9398654 0.93 SMN1; SMN2 (0.65) SMN1; SMN2GLAMEN1NPC1KMT2A
SCHEMBL9398842 0.91 SMN1; SMN2 (0.70) SMN1; SMN2GLAMEN1NPC1KMT2A
SCHEMBL8959111 0.84 SMN1; SMN2 (0.74) SMN1; SMN2GLAMEN1NPC1KMT2A
SCHEMBL9399818 0.84 SMN1; SMN2 (0.77) SMN1; SMN2GLAMEN1NPC1KMT2A
SCHEMBL10981424 0.82 SMN1; SMN2 (0.55) SMN1; SMN2GLAMEN1NPC1KMT2A
SCHEMBL10975599 0.82 SMN1; SMN2 (0.55) SMN1; SMN2GLAMEN1NPC1KMT2A
SCHEMBL10975775 0.82 SMN1; SMN2 (0.55) SMN1; SMN2GLAMEN1NPC1KMT2A
SCHEMBL10982899 0.82 SMN1; SMN2 (0.55) SMN1; SMN2GLAMEN1NPC1KMT2A
SCHEMBL10986508 0.82 SMN1; SMN2 (0.55) SMN1; SMN2GLAMEN1NPC1KMT2A
SCHEMBL10982363 0.82 SMN1; SMN2 (0.55) SMN1; SMN2GLAMEN1NPC1KMT2A

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
US-5047170-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1991-09-10 US disclosed