SCHEMBL13557285

SCHEMBL13557285

C/C=C\C(C)(C(=O)OC1CCCCC1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.43
EPHX1 P07099 2/20 0.38
NAAA Q02083 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CHRM3 P20309 5/20 0.33
CYP2C19 P33261 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31

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
SCHEMBL12250059 0.80 CYP19A1 (0.43) CYP19A1EPHX1NAAAHTTSMN1; SMN2
SCHEMBL13287232 0.78 CYP19A1 (0.41) CYP19A1EPHX1NAAAHTTSMN1; SMN2
SCHEMBL10005307 0.74 CYP19A1 (0.50) CYP19A1EPHX1NAAAHTTSMN1; SMN2
SCHEMBL20192401 0.74 CYP19A1 (0.50) CYP19A1EPHX1NAAAHTTSMN1; SMN2
SCHEMBL28317353 0.74 CYP19A1 (0.53) CYP19A1EPHX1NAAAHTTSMN1; SMN2
SCHEMBL2182130 0.74 CYP19A1 (0.53) CYP19A1EPHX1NAAAHTTSMN1; SMN2
SCHEMBL4679066 0.72 CYP19A1 (0.51) CYP19A1EPHX1NAAAHTTSMN1; SMN2
SCHEMBL3717139 0.72 CYP19A1 (0.51) CYP19A1EPHX1NAAAHTTSMN1; SMN2
Ammonia Solution, Strong SCHEMBL27920558 0.72 CYP19A1 (0.51) CYP19A1EPHX1NAAAHTTSMN1; SMN2
SCHEMBL1682649 0.72 CYP19A1 (0.50) CYP19A1EPHX1NAAAHTTSMN1; 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
EP-2105440-B1 Actinic ray-sensitive or radiation-sensitive resin composition, pattern forming method using the same, polymerizable compound and polymer compound obtained by polymerizing the polymerizable compound FUJIFILM CORP (JP) 2012-10-24 EP disclosed