SCHEMBL2828962

SCHEMBL2828962

CCCCC(CC)Cc1cc(C2=CCC(c3ccc(OCC4CO4)cc3)=CC2)ccc1OCC1CO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TP53 P04637 3/20 0.36
TSHR P16473 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
TDP1 Q9NUW8 1/20 0.34
PKM P14618 2/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
GLA P06280 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
VDR P11473 1/20 0.31
PTPN1 P18031 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
SCHEMBL2829473 0.91 ALDH1A1 (0.40) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2824456 0.90 ALDH1A1 (0.44) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2824316 0.86 ALDH1A1 (0.35) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2717771 0.86 ALDH1A1 (0.40) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2719252 0.85 ALDH1A1 (0.39) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2829120 0.84 ALDH1A1 (0.38) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2828497 0.84 ALDH1A1 (0.38) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2718064 0.84 ALDH1A1 (0.38) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2717687 0.84 ALDH1A1 (0.41) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2720091 0.83 ALDH1A1 (0.43) ALDH1A1TP53TSHRMAPTHPGD

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