SCHEMBL15096036

SCHEMBL15096036

C=CCOc1ccc(CCC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
POLB P06746 3/20 0.44
MAPT P10636 2/20 0.44
USP2 O75604 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
BCHE P06276 2/20 0.41
CYP2D6 P10635 1/20 0.40
ADRA2A P08913 1/20 0.40

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
SCHEMBL4456470 0.82 ALDH1A1 (0.50) ALDH1A1POLBMAPTUSP2CACNA1B
SCHEMBL3627757 0.80 THRB (0.54) ALDH1A1POLBMAPTUSP2CACNA1B
SCHEMBL2150158 0.80 CA12 (0.50) ALDH1A1POLBMAPTUSP2CACNA1B
SCHEMBL17226148 0.78 CA12 (0.49) ALDH1A1POLBMAPTUSP2CACNA1B
SCHEMBL12532591 0.78 NQO1 (0.56) SMN1; SMN2TSHRHRH3
SCHEMBL8801453 0.77 ALDH1A1 (0.46) ALDH1A1POLBMAPTUSP2CACNA1B
SCHEMBL9259951 0.77 THRB (0.51) ALDH1A1POLBMAPTUSP2CACNA1B
1,4-Diallyloxybenzene SCHEMBL302448 0.77 CA12 (0.63) ALDH1A1POLBMAPTUSP2CACNA1B
SCHEMBL7927491 0.77 CA2 (0.47) ALDH1A1POLBMAPTUSP2CACNA1B
SCHEMBL7929787 0.76 ALDH1A1 (0.50) ALDH1A1POLBMAPTUSP2CACNA1B

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
EP-1791876-B1 Optical elements OPHTHONIX INC (US) 2013-07-10 EP disclosed