SCHEMBL2833403

SCHEMBL2833403

CCCCCC(C)(C)c1cc(C(C)(C)c2cc(C(C)(C)CCCCC)c(OCCCC3CO3)c(C(C)(C)CCCCC)c2)cc(C(C)(C)CCCCC)c1OCCCC1CO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TSHR P16473 4/20 0.35
TP53 P04637 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 2/20 0.35
HIF1A Q16665 2/20 0.35
PPARG P37231 1/20 0.35
CNR1 P21554 13/20 0.34
CNR2 P34972 11/20 0.34
TDP1 Q9NUW8 2/20 0.33
TRPV1 Q8NER1 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
THPO P40225 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL2832716 0.96 ALDH1A1 (0.42) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2831923 0.95 ALDH1A1 (0.36) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2831173 0.90 ALDH1A1 (0.41) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2829828 0.88 ALDH1A1 (0.40) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2829813 0.88 ALDH1A1 (0.40) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2829924 0.88 ALDH1A1 (0.46) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2836562 0.87 MAPT (0.38) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2836573 0.86 ALDH1A1 (0.44) ALDH1A1CNR1CNR2TDP1TRPV1
SCHEMBL2833560 0.85 ALDH1A1 (0.38) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2833400 0.85 TP53 (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 2 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
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed