SCHEMBL2833378

SCHEMBL2833378

CCc1cc(Cc2cc(CC)c(OCCCC3CO3)c(CC)c2)cc(CC)c1OCCCC1CO1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DHFR P00374 2/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL2834158 0.95 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ADHFRSMN1; SMN2
SCHEMBL2829958 0.92 MEN1 (0.35) ALDH1A1MEN1KMT2ADHFRSMN1; SMN2
SCHEMBL2833461 0.91 MEN1 (0.37) ALDH1A1MEN1KMT2ADHFRSMN1; SMN2
SCHEMBL2832947 0.88 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2830473 0.87 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2831170 0.83 MEN1 (0.38) ALDH1A1MEN1KMT2ADHFRSMN1; SMN2
SCHEMBL2828914 0.83 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2832920 0.83 MEN1 (0.36) ALDH1A1MEN1KMT2ADHFRSMN1; SMN2
SCHEMBL2829952 0.83 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ADHFRSMN1; SMN2
SCHEMBL2832742 0.82 MEN1 (0.40) ALDH1A1MEN1KMT2A

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