SCHEMBL2833433

SCHEMBL2833433

CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(OCCOCC3CO3)c(C(C)(C)C)c2)cc(C(C)(C)C)c1OCCOCC1CO1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 6/20 0.36
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 1/20 0.34
DHFR P00374 1/20 0.33
GLA P06280 1/20 0.32
SCN2A Q99250 2/20 0.32

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
SCHEMBL2835751 0.92 TSHR (0.39) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL2833471 0.89 TSHR (0.41) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL2833773 0.88 SMN1; SMN2 (0.39) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL2831552 0.87 TSHR (0.38) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL2830531 0.87 ALDH1A1 (0.44) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL2831264 0.86 ALDH1A1 (0.46) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL2835771 0.84 CYP3A4 (0.38) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2830331 0.83 CYP3A4 (0.40) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2836029 0.82 TSHR (0.43) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL2834148 0.82 CYP3A4 (0.39) TSHRALDH1A1TP53MAPTHPGD

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