SCHEMBL2836072

SCHEMBL2836072

CCC(C)(C)c1cc(-c2cc(C(C)(C)CC)c(OCCCC3CO3)c(C(C)(C)CC)c2)cc(C(C)(C)CC)c1OCCCC1CO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TP53 P04637 3/20 0.34
TSHR P16473 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HPGD P15428 2/20 0.34
HIF1A Q16665 2/20 0.34
CYP1A2 P05177 1/20 0.34
PPARG P37231 1/20 0.34
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
APAF1 O14727 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPK1 P28482 1/20 0.31
RAD52 P43351 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NOD2 Q9HC29 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
SCHEMBL2832486 0.96 ALDH1A1 (0.38) ALDH1A1TP53TSHRMAPTMEN1
SCHEMBL2829527 0.93 TP53 (0.35) ALDH1A1TP53TSHRMAPTMEN1
SCHEMBL2835781 0.89 ALDH1A1 (0.33) ALDH1A1TP53TSHRMAPTMEN1
SCHEMBL2836562 0.89 MAPT (0.38) ALDH1A1TP53TSHRMAPTMEN1
SCHEMBL2832552 0.89 MEN1 (0.34) ALDH1A1TP53TSHRMAPTMEN1
SCHEMBL2831171 0.89 TP53 (0.34) ALDH1A1TP53TSHRMAPTMEN1
SCHEMBL2831186 0.87 CYP3A4 (0.42) ALDH1A1TP53TSHRMAPTMEN1
SCHEMBL2831173 0.87 ALDH1A1 (0.41) ALDH1A1TP53TSHRMAPTMEN1
SCHEMBL2834169 0.85 ALDH1A1 (0.44) ALDH1A1TP53TSHRMAPTMEN1
SCHEMBL2832942 0.85 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2AAPAF1

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