SCHEMBL2833773

SCHEMBL2833773

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 5/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HIF1A Q16665 2/20 0.34
CYP1A2 P05177 1/20 0.34
PPARG P37231 1/20 0.34
CYP3A4 P08684 1/20 0.31
GLA P06280 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
SCHEMBL2833484 0.92 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL2831808 0.90 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL2831552 0.89 TSHR (0.38) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL2833433 0.88 TSHR (0.39) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL2833458 0.88 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL2833567 0.87 TSHR (0.43) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL2829690 0.85 MEN1 (0.32) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2835781 0.84 ALDH1A1 (0.33) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2832942 0.83 ALDH1A1 (0.36) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL2830492 0.81 TSHR (0.38) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1

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