SCHEMBL2497432

SCHEMBL2497432

[CH2]C([CH2])([CH2])CC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.45
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 4/20 0.42
TSHR P16473 3/20 0.42
MEN1 O00255 3/20 0.42
MAPK1 P28482 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
BLM P54132 2/20 0.42
ATM Q13315 2/20 0.42
HIF1A Q16665 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.42
CYP2D6 P10635 1/20 0.42
GAA P10253 6/20 0.41
LMNA P02545 3/20 0.41
GABBR2 O75899 2/20 0.41
GABBR1 Q9UBS5 2/20 0.41
GMNN O75496 1/20 0.41

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
SCHEMBL201844 0.88 HMGCR (0.47) HMGCRALDH1A1KMT2ATSHRMEN1
SCHEMBL10883893 0.88 HMGCR (0.47) HMGCRALDH1A1KMT2ATSHRMEN1
SCHEMBL11438781 0.85 HMGCR (0.45) HMGCRALDH1A1KMT2ATSHRMEN1
Ethylene SCHEMBL10684745 0.85 HMGCR (0.47) HMGCRALDH1A1KMT2ATSHRMEN1
SCHEMBL606925 0.84 HMGCR (0.49) HMGCRALDH1A1KMT2ATSHRMEN1
SCHEMBL2133230 0.84 HMGCR (0.46) HMGCRALDH1A1KMT2ATSHRMEN1
SCHEMBL1286430 0.83 HMGCR (0.51) HMGCRALDH1A1KMT2ATSHRMEN1
SCHEMBL106365 0.82 HMGCR (0.47) HMGCRALDH1A1KMT2ATSHRMEN1
SCHEMBL3891933 0.81 GAA (0.48) HMGCRALDH1A1KMT2ATSHRMEN1
SCHEMBL252842 0.81 GAA (0.45) HMGCRALDH1A1KMT2ATSHRMEN1

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
US-8030415-B2 Process for crosslinking thermoplastic polymers with silanes employing peroxide blends, the resulting crosslinked thermoplastic polymer composition and articles made therefrom MOMENTIVE PERFORMANCE MATERIALS, INC. (US) 2011-10-04 US disclosed