SCHEMBL2833565

SCHEMBL2833565

CCC(C)(C)c1cc(C(C)(C)c2cc(C(C)(C)CC)c(OCC(OC)C3CO3)c(C(C)(C)CC)c2)cc(C(C)(C)CC)c1OCC(OC)C1CO1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
PPARG P37231 3/20 0.31
RXRA P19793 2/20 0.31
RARG P13631 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
HIF1A Q16665 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
SCHEMBL2831263 0.88 ALDH1A1 (0.34) ALDH1A1PPARGTP53MAPTHPGD
SCHEMBL2833771 0.88
SCHEMBL2833482 0.88
SCHEMBL2834206 0.87 CNR2 (0.33)
SCHEMBL2829942 0.82 ALDH1A1 (0.33) ALDH1A1PPARGTP53MAPTHPGD
SCHEMBL2836566 0.81 TP53 (0.30) ALDH1A1PPARGTP53MAPTHPGD
SCHEMBL2836413 0.80 ALDH1A1 (0.33) ALDH1A1PPARGTP53MAPTHPGD
SCHEMBL2835815 0.77 PPARG (0.32) ALDH1A1PPARGRXRARARGTP53
SCHEMBL2834970 0.76 TP53 (0.31) ALDH1A1PPARGTP53MAPTHPGD
SCHEMBL2829236 0.76 ALDH1A1 (0.51) ALDH1A1PPARGRXRARARGTP53

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