SCHEMBL2833487

SCHEMBL2833487

CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)c(OCCC3CO3)c(C(C)(C)CC(C)(C)C)c2)cc(C(C)(C)CC(C)(C)C)c1OCCC1CO1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TP53 P04637 2/20 0.30
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
TSHR P16473 2/20 0.30
CYP1A2 P05177 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PPARG P37231 1/20 0.30
HIF1A Q16665 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
SCHEMBL2829811 0.95 MEN1 (0.31) MEN1KMT2ACYP3A4CYP2D6TP53
SCHEMBL2829263 0.93 ALDH1A1 (0.33) MEN1KMT2AALDH1A1
SCHEMBL2832764 0.92 MEN1 (0.37) MEN1KMT2ACYP3A4CYP2D6TP53
SCHEMBL2833558 0.89 TP53 (0.34) MEN1KMT2ACYP3A4CYP2D6TP53
SCHEMBL2829690 0.88 MEN1 (0.32) MEN1KMT2ATP53MAPTHPGD
SCHEMBL2829825 0.86 MEN1 (0.34) MEN1KMT2ACYP3A4CYP2D6TP53
SCHEMBL2831922 0.86 MEN1 (0.38) MEN1KMT2ACYP3A4CYP2D6TP53
SCHEMBL2831255 0.86 ALDH1A1 (0.40) MEN1KMT2ACYP3A4TP53MAPT
SCHEMBL2835771 0.86 CYP3A4 (0.38) MEN1KMT2ACYP3A4CYP2D6TP53
SCHEMBL2831552 0.86 TSHR (0.38) MEN1KMT2ACYP3A4CYP2D6TP53

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