SCHEMBL10248843

SCHEMBL10248843

CC(C)=CC(c1ccc(OC(C)(C)C)cc1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.41
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ELANE P08246 1/20 0.31
FFAR1 O14842 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
SCHEMBL13588182 0.84 ALDH1A1 (0.43) KDM4EFFAR1
SCHEMBL12346041 0.84 FFAR1 (0.31) ACACBFFAR1
SCHEMBL13359071 0.81 PTGS1 (0.35) ACACB
SCHEMBL12361679 0.80 LMNA (0.46) SLC6A2SLC6A3KDM4EMEN1KMT2A
SCHEMBL12361745 0.80 NQO1 (0.45) ACACBMEN1KMT2AFFAR1
SCHEMBL903568 0.80 ESR1 (0.43) SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL14709958 0.79 PPARG (0.30)
SCHEMBL12448026 0.77 CYP1A2 (0.40) MEN1KMT2A
SCHEMBL10077946 0.77 CYP1A2 (0.40) MEN1KMT2A
SCHEMBL10077145 0.77 AOC3 (0.37)

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-2413191-A1 Actinic-ray- or radiation-sensitive resin composition, resist film therefrom and method of forming pattern therewith Fujifilm Corporation (JP) 2012-02-01 EP disclosed