SCHEMBL2833560

SCHEMBL2833560

CCCCCC(C)(C)c1cc(-c2cc(C(C)(C)CCCCC)c(OCCC3CO3)c(C(C)(C)CCCCC)c2)cc(C(C)(C)CCCCC)c1OCCC1CO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
CNR2 P34972 12/20 0.35
TDP1 Q9NUW8 2/20 0.34
CNR1 P21554 11/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 3/20 0.31
TSHR P16473 3/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
CYP1A2 P05177 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
THPO P40225 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL2831173 0.95 ALDH1A1 (0.41) ALDH1A1CNR2TDP1CNR1SMN1; SMN2
SCHEMBL2836573 0.94 ALDH1A1 (0.44) ALDH1A1CNR2TDP1CNR1SMN1; SMN2
SCHEMBL2831923 0.90 ALDH1A1 (0.36) ALDH1A1CNR2TDP1CNR1TP53
SCHEMBL2833489 0.90 ALDH1A1 (0.36) ALDH1A1CNR2TDP1CNR1SMN1; SMN2
SCHEMBL2832765 0.90 ALDH1A1 (0.36) ALDH1A1CNR2TDP1CNR1SMN1; SMN2
SCHEMBL2833373 0.88 ALDH1A1 (0.40) ALDH1A1CNR2TDP1CNR1SMN1; SMN2
SCHEMBL2829933 0.86 ALDH1A1 (0.47) ALDH1A1CNR2TDP1CNR1SMN1; SMN2
SCHEMBL2829527 0.85 TP53 (0.35) ALDH1A1SMN1; SMN2TP53TSHRMAPT
SCHEMBL2833403 0.85 ALDH1A1 (0.40) ALDH1A1CNR2TDP1CNR1SMN1; SMN2
SCHEMBL2829813 0.85 ALDH1A1 (0.40) ALDH1A1CNR2TDP1CNR1SMN1; SMN2

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