SCHEMBL2833489

SCHEMBL2833489

CCCCCC(C)(C)c1cc(Cc2cc(C(C)(C)CCCCC)c(OCCC3CO3)c(C(C)(C)CCCCC)c2)cc(C(C)(C)CCCCC)c1OCCC1CO1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.33
CNR1 P21554 13/20 0.32
CNR2 P34972 11/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
MAPK1 P28482 1/20 0.30
THPO P40225 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL2829813 0.95 ALDH1A1 (0.40) ALDH1A1TDP1CNR1CNR2MEN1
SCHEMBL2829265 0.94 ALDH1A1 (0.42) ALDH1A1TDP1CNR1CNR2SMN1; SMN2
SCHEMBL2832765 0.93 ALDH1A1 (0.36) ALDH1A1TDP1CNR1CNR2MEN1
SCHEMBL2833560 0.90 ALDH1A1 (0.38) ALDH1A1TDP1CNR1CNR2MEN1
SCHEMBL2829828 0.88 ALDH1A1 (0.40) ALDH1A1TDP1CNR1CNR2MEN1
SCHEMBL2831923 0.88 ALDH1A1 (0.36) ALDH1A1TDP1CNR1CNR2MEN1
SCHEMBL2831258 0.88 ALDH1A1 (0.37) ALDH1A1TDP1CNR1CNR2MEN1
SCHEMBL2832778 0.87 ALDH1A1 (0.42) ALDH1A1TDP1CNR1CNR2TRPV1
SCHEMBL2829690 0.86 MEN1 (0.32) ALDH1A1MEN1KMT2ATP53CYP1A2
SCHEMBL2831173 0.85 ALDH1A1 (0.41) ALDH1A1TDP1CNR1CNR2MEN1

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