SCHEMBL2832887

SCHEMBL2832887

Cc1cc(-c2cc(C)c(OCCC3CO3)c(C)c2)cc(C)c1OCCC1CO1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
TP53 P04637 3/20 0.34
TSHR P16473 3/20 0.34
HIF1A Q16665 2/20 0.34
CYP3A4 P08684 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR1A P08908 3/20 0.33
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BRD4 O60885 1/20 0.32
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
CYP1A2 P05177 1/20 0.31
PPARG P37231 1/20 0.31
NR1I2 O75469 1/20 0.31
CYP2D6 P10635 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
SCHEMBL2829352 0.91 ALDH1A1 (0.38) ALDH1A1GLAKMT2AMEN1TP53
SCHEMBL2831066 0.89 ALDH1A1 (0.41) ALDH1A1GLAKMT2AMEN1TP53
SCHEMBL2829794 0.86 KMT2A (0.41) ALDH1A1GLAKMT2AMEN1TP53
SCHEMBL2831878 0.86 MEN1 (0.37) ALDH1A1GLAKMT2AMEN1TP53
SCHEMBL2835150 0.84 ALDH1A1 (0.45) ALDH1A1GLAKMT2AMEN1TP53
SCHEMBL49658 0.81 ALDH1A1 (0.50) ALDH1A1GLAKMT2AMEN1TP53
SCHEMBL13117147 0.81 ALDH1A1 (0.50) ALDH1A1GLAKMT2AMEN1TP53
SCHEMBL2830266 0.81 MEN1 (0.33) ALDH1A1GLAKMT2AMEN1TP53
SCHEMBL2829255 0.81 TSHR (0.46) ALDH1A1GLAKMT2AMEN1TP53
SCHEMBL2828917 0.80 CYP3A4 (0.40) ALDH1A1GLAKMT2AMEN1TP53

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