SCHEMBL2825713

SCHEMBL2825713

CCCCCC(C)(C)c1cc(C2=CCC(c3ccc(OCC4CO4)cc3)CC2)ccc1OCC1CO1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.36
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.36
VDR P11473 1/20 0.32
CNR2 P34972 9/20 0.32
TDP1 Q9NUW8 1/20 0.31
PKM P14618 2/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
CYP3A4 P08684 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2717993 0.90 ALDH1A1 (0.40) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL2825712 0.89 ALDH1A1 (0.39) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL2720292 0.87 ALDH1A1 (0.42) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL2827466 0.85 ALDH1A1 (0.42) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL2719667 0.85 ALDH1A1 (0.34) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL2828653 0.84 ALDH1A1 (0.43) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL2829144 0.84 ALDH1A1 (0.43) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL2829566 0.84 ALDH1A1 (0.33) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL2825582 0.84 ALDH1A1 (0.33) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL2720395 0.84 ALDH1A1 (0.33) TP53TSHRALDH1A1MAPTHPGD

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 4 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
US-20100144926-A1 EPOXY RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-10 US disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed
EP-2133379-A1 EPOXY RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed