SCHEMBL2827465

SCHEMBL2827465

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TP53 P04637 3/20 0.45
TSHR P16473 3/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HIF1A Q16665 2/20 0.45
CYP1A2 P05177 1/20 0.45
PPARG P37231 1/20 0.45
PKM P14618 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GLA P06280 1/20 0.36
VDR P11473 1/20 0.35
PTPN1 P18031 1/20 0.33
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL2828651 0.90 ALDH1A1 (0.46) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2718651 0.90 ALDH1A1 (0.46) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2717383 0.89 ALDH1A1 (0.49) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2828963 0.89 ALDH1A1 (0.51) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2827466 0.88 ALDH1A1 (0.42) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2825712 0.84 ALDH1A1 (0.39) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2718444 0.83 ALDH1A1 (0.48) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2717671 0.82 ALDH1A1 (0.43) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2721751 0.81 ALDH1A1 (0.42) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2717811 0.80 MAPT (0.47) 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-2133379-A1 EPOXY RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed