SCHEMBL2829561

SCHEMBL2829561

CCCCCCCCc1cc(-c2ccc(-c3ccc(OCC4CO4)cc3)cc2)ccc1OCC1CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
TSHR P16473 4/20 0.43
TP53 P04637 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PPARG P37231 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
HIF1A Q16665 2/20 0.43
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
PKM P14618 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
GLA P06280 1/20 0.39
SPHK2 Q9NRA0 1/20 0.36
VDR P11473 1/20 0.35
RARB P10826 3/20 0.35

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
SCHEMBL2718190 1.00 ALDH1A1 (0.43) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2828695 1.00 ALDH1A1 (0.43) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2718398 0.99 ALDH1A1 (0.44) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL15835610 0.95 ALDH1A1 (0.45) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2719687 0.95 ALDH1A1 (0.45) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2717933 0.90 ALDH1A1 (0.47) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2828733 0.90 ALDH1A1 (0.39) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2827505 0.90 ALDH1A1 (0.39) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2719614 0.90 ALDH1A1 (0.39) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2718064 0.89 ALDH1A1 (0.38) 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 3 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