SCHEMBL2631459

SCHEMBL2631459

CC(C)=CC(=C(C)C)c1ccc2c(c1)OCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SRD5A2 P31213 1/20 0.45
NQO1 P15559 1/20 0.45
LMNA P02545 1/20 0.43
HPGD P15428 5/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MAOB P27338 1/20 0.43
CYP3A4 P08684 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL18650655 0.80 MEN1 (0.59) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL7074497 0.76 MEN1 (0.62) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL22745597 0.74 MEN1 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
3,4-Methylendioxy Acetophenone SCHEMBL137979 0.73 KDM4E (0.71) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL13985921 0.73 ALDH1A1 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
3,4-Methylendioxy Acetophenone SCHEMBL29405437 0.73 KDM4E (0.71) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL3465063 0.73 MEN1 (0.69) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL11300480 0.72 MEN1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL31378097 0.71 ALDH1A1 (0.66) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL1463740 0.70 POLB (0.80) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158326-B2 Photosensitive composition, compound for use in the photosensitive composition, and method of pattern formation with the photosensitive composition FUJIFILM CORPORATION (JP) 2012-04-17 US disclosed
US-7510822-B2 Stimulation sensitive composition and compound FUJIFILM CORPORATION (JP) 2009-03-31 US disclosed
US-20090075202-A1 PHOTOSENSITIVE COMPOSITION, COMPOUND FOR USE IN THE PHOTOSENSITIVE COMPOSITION, AND METHOD OF PATTERN FORMATION WITH THE PHOTOSENSITIVE COMPOSITION FUJIFILM CORPORATION (JP) 2009-03-19 US disclosed