SCHEMBL2833461

SCHEMBL2833461

CCc1cc(CCc2cc(CC)c(OCCCC3CO3)c(CC)c2)cc(CC)c1OCCCC1CO1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
S1PR1 P21453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
DHFR P00374 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
SCHEMBL2830473 0.95 ALDH1A1 (0.40) MEN1KMT2AALDH1A1S1PR1SMN1; SMN2
SCHEMBL2831170 0.92 MEN1 (0.38) MEN1KMT2AALDH1A1S1PR1SMN1; SMN2
SCHEMBL2833378 0.91 ALDH1A1 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2DHFR
SCHEMBL2832947 0.88 ALDH1A1 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2834158 0.87 ALDH1A1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2DHFR
SCHEMBL2829958 0.83 MEN1 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2DHFR
SCHEMBL2828914 0.83 ALDH1A1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2832825 0.83 MEN1 (0.40) MEN1KMT2AALDH1A1S1PR1
SCHEMBL2831486 0.83 ALDH1A1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2831156 0.82 SMN1; SMN2 (0.42) MEN1KMT2AALDH1A1S1PR1SMN1; 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