SCHEMBL2836111

SCHEMBL2836111

CC(C)(C)c1cc(C(C)(C)c2cc(C(C)(C)C)c(OCCCCC3CO3)c(C(C)(C)C)c2)cc(C(C)(C)C)c1OCCCCC1CO1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
PPARG P37231 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TLR4 O00206 2/20 0.32
CD14 P08571 2/20 0.32
LY96 Q9Y6Y9 2/20 0.32
GAA P10253 1/20 0.30

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
SCHEMBL2832800 0.96 MEN1 (0.41) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL2832934 0.91 MEN1 (0.42) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL2831160 0.88 CYP3A4 (0.41) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL2832715 0.88 TP53 (0.38) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL2833407 0.88 MAPT (0.38) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL2831167 0.87 MEN1 (0.43) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL2834148 0.86 CYP3A4 (0.39) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL2831184 0.86 CYP3A4 (0.39) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL2831186 0.84 CYP3A4 (0.42) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL2832716 0.83 ALDH1A1 (0.42) MEN1KMT2AALDH1A1TP53MAPT

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