SCHEMBL2830331

SCHEMBL2830331

CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(OCCCC3CO3)c(C(C)(C)C)c2)cc(C(C)(C)C)c1OCCCC1CO1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
SCN2A Q99250 2/20 0.34
DHFR P00374 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 3/20 0.33
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32
PPARG P37231 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL2834148 0.96 CYP3A4 (0.39) CYP3A4CYP2D6SCN2ADHFRMEN1
SCHEMBL2835771 0.93 CYP3A4 (0.38) CYP3A4CYP2D6SCN2ADHFRMEN1
SCHEMBL2831826 0.91 CYP3A4 (0.40) CYP3A4CYP2D6SCN2AMEN1KMT2A
SCHEMBL2831186 0.88 CYP3A4 (0.42) CYP3A4CYP2D6SCN2AMEN1KMT2A
SCHEMBL2829811 0.87 MEN1 (0.31) CYP3A4CYP2D6MEN1KMT2AALDH1A1
SCHEMBL2835781 0.87 ALDH1A1 (0.33) CYP3A4CYP2D6MEN1KMT2AALDH1A1
SCHEMBL2831184 0.87 CYP3A4 (0.39) CYP3A4CYP2D6SCN2AMEN1KMT2A
SCHEMBL2832800 0.85 MEN1 (0.41) CYP3A4CYP2D6MEN1KMT2AALDH1A1
SCHEMBL2830517 0.84 CYP3A4 (0.38) CYP3A4CYP2D6SCN2AMEN1KMT2A
SCHEMBL2831160 0.84 CYP3A4 (0.41) CYP3A4CYP2D6SCN2AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed