SCHEMBL2829933

SCHEMBL2829933

CCCCCC(C)(C)c1cc(-c2cc(C(C)(C)CCCCC)c(OCCOCC3CO3)c(C(C)(C)CCCCC)c2)cc(C(C)(C)CCCCC)c1OCCOCC1CO1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 5/20 0.36
TP53 P04637 3/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HIF1A Q16665 2/20 0.35
CYP1A2 P05177 1/20 0.35
PPARG P37231 1/20 0.35
MAPK1 P28482 1/20 0.34
CNR2 P34972 3/20 0.33
CYP3A4 P08684 1/20 0.32
GLA P06280 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL2833373 0.90 ALDH1A1 (0.40) ALDH1A1TDP1SMN1; SMN2TSHRTP53
SCHEMBL2833560 0.86 ALDH1A1 (0.38) ALDH1A1TDP1SMN1; SMN2TSHRTP53
SCHEMBL2831173 0.86 ALDH1A1 (0.41) ALDH1A1TDP1SMN1; SMN2TSHRTP53
SCHEMBL2831808 0.86 SMN1; SMN2 (0.41) ALDH1A1TDP1SMN1; SMN2TSHRTP53
SCHEMBL2836573 0.85 ALDH1A1 (0.44) ALDH1A1TDP1SMN1; SMN2CNR2CNR1
SCHEMBL2829938 0.85 TSHR (0.40) ALDH1A1TDP1SMN1; SMN2TSHRTP53
SCHEMBL2833471 0.82 TSHR (0.41) ALDH1A1TDP1SMN1; SMN2TSHRTP53
SCHEMBL2831258 0.81 ALDH1A1 (0.37) ALDH1A1TDP1SMN1; SMN2TSHRTP53
SCHEMBL2832899 0.81 ALDH1A1 (0.37) ALDH1A1TDP1SMN1; SMN2TSHRTP53
SCHEMBL2829924 0.81 ALDH1A1 (0.46) ALDH1A1TDP1SMN1; SMN2TSHRTP53

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