SCHEMBL2825699

SCHEMBL2825699

CCCCCCCc1cc(C2C=CC(c3ccc(OCC4CO4)cc3)C=C2)ccc1OCC1CO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
TSHR P16473 4/20 0.40
TP53 P04637 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
HIF1A Q16665 2/20 0.40
CYP1A2 P05177 1/20 0.40
PPARG P37231 1/20 0.40
PKM P14618 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
GLA P06280 1/20 0.36
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
ENPP2 Q13822 1/20 0.33

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
SCHEMBL2718474 1.00 ALDH1A1 (0.40) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2825705 1.00 ALDH1A1 (0.40) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2720156 0.99 ALDH1A1 (0.40) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2720915 0.96 ALDH1A1 (0.41) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2717897 0.91 PPARG (0.43) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2832559 0.87 ALDH1A1 (0.38) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2828982 0.87 ALDH1A1 (0.38) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2825848 0.87 ALDH1A1 (0.38) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2720452 0.87 SPHK1 (0.40) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2830461 0.87 SPHK1 (0.40) ALDH1A1TSHRTP53MEN1KMT2A

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