SCHEMBL4903544

SCHEMBL4903544

[CH2]C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP17A1 P05093 2/20 0.36
CYP19A1 P11511 2/20 0.36
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GLA P06280 1/20 0.33
CACNA1H O95180 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3290691 0.82 MEN1 (0.39) EPHX2MEN1KMT2AMAPK1CYP17A1
SCHEMBL441785 0.82 MEN1 (0.39) EPHX2MEN1KMT2AMAPK1CYP17A1
SCHEMBL18566931 0.81 EPHX2 (0.50) EPHX2MEN1KMT2ALMNAL3MBTL1
SCHEMBL13638396 0.81 MEN1 (0.38) EPHX2MEN1KMT2AMAPK1CYP17A1
SCHEMBL112620 0.81 MEN1 (0.38) EPHX2MEN1KMT2AMAPK1CYP17A1
SCHEMBL14838346 0.81 MEN1 (0.38) EPHX2MEN1KMT2AMAPK1CYP17A1
SCHEMBL13527866 0.81 MEN1 (0.38) EPHX2MEN1KMT2AMAPK1CYP17A1
SCHEMBL15281488 0.80 CYP17A1 (0.36) EPHX2MEN1KMT2AMAPK1CYP17A1
SCHEMBL172055 0.80 CYP17A1 (0.36) EPHX2MEN1KMT2AMAPK1CYP17A1
SCHEMBL332873 0.80 MEN1 (0.36) EPHX2MEN1KMT2AMAPK1CYP17A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080187859-A1 Radiation-Sensitive Resin Composition JSR CORPORATION (JP) 2008-08-07 US disclosed
US-20070269735-A1 Radiation-Sensitive Resin Composition JSR CORPORATION (JP) 2007-11-22 US disclosed
EP-1726608-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2006-11-29 EP disclosed
EP-1720064-A1 Radiation-sensitive resin composition JSR Corporation (JP) 2006-11-08 EP disclosed
US-20060223001-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-10-05 US disclosed