SCHEMBL2835837

SCHEMBL2835837

Cc1cc(C(C)(C)c2cc(C)c(OCCCC3CO3)c(C)c2)cc(C)c1OCCCC1CO1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
TSHR P16473 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TP53 P04637 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP1A2 P05177 2/20 0.44
PPARG P37231 1/20 0.44
HTR1A P08908 2/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 3/20 0.31
CYP2D6 P10635 3/20 0.31
NR1I2 O75469 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 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
SCHEMBL2831167 0.95 MEN1 (0.43) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL2835150 0.92 ALDH1A1 (0.45) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL13116406 0.89 MAPT (0.38) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL13116321 0.86 MAPT (0.37) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL1906789 0.86 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL1905766 0.86 MAPT (0.41) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL2832800 0.86 MEN1 (0.41) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL2832742 0.85 MEN1 (0.40) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL2829352 0.85 ALDH1A1 (0.38) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL2834992 0.84 TP53 (0.39) ALDH1A1TSHRMEN1KMT2ATP53

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