SCHEMBL2829958

SCHEMBL2829958

CCc1cc(Cc2cc(CC)c(OCCC3CO3)c(CC)c2)cc(CC)c1OCCC1CO1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DHFR P00374 2/20 0.34
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL2833378 0.92 ALDH1A1 (0.37) MEN1KMT2ADHFRALDH1A1SMN1; SMN2
SCHEMBL2834158 0.91 ALDH1A1 (0.40) MEN1KMT2ADHFRALDH1A1TSHR
SCHEMBL2831170 0.91 MEN1 (0.38) MEN1KMT2ADHFRALDH1A1TP53
SCHEMBL2830266 0.87 MEN1 (0.33) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL2829952 0.84 ALDH1A1 (0.42) MEN1KMT2ADHFRALDH1A1TP53
SCHEMBL2833191 0.84 SMN1; SMN2 (0.42) MEN1KMT2ADHFRALDH1A1TP53
SCHEMBL2833461 0.83 MEN1 (0.37) MEN1KMT2ADHFRALDH1A1SMN1; SMN2
SCHEMBL2831878 0.82 MEN1 (0.37) MEN1KMT2ADHFRALDH1A1TP53
SCHEMBL2830473 0.82 ALDH1A1 (0.40) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL2829787 0.82 MEN1 (0.41) MEN1KMT2AALDH1A1TP53TSHR

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