SCHEMBL2835833

SCHEMBL2835833

CC(C)c1cc(Cc2cc(C(C)C)c(OCC3CO3)c(C(C)C)c2)cc(C(C)C)c1OCC1CO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TP53 P04637 3/20 0.41
TSHR P16473 3/20 0.41
HIF1A Q16665 2/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
PPARG P37231 1/20 0.37
PKM P14618 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HMGCR P04035 1/20 0.34
MGLL Q99685 2/20 0.33
GLRA1 P23415 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
SCHEMBL2828882 0.90 ALDH1A1 (0.41) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2831072 0.87 TSHR (0.39) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2836085 0.87 ALDH1A1 (0.43) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2833181 0.84 MEN1 (0.34) MEN1KMT2AGLRA1
SCHEMBL2831069 0.83 ALDH1A1 (0.32) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2832687 0.83 MEN1 (0.33) ALDH1A1MEN1KMT2AGLRA1
SCHEMBL2833273 0.82 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AGLRA1
SCHEMBL2833472 0.81 ALDH1A1 (0.53) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL9615803 0.80 ALDH1A1 (0.38) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL3677230 0.80 TSHR (0.51) ALDH1A1TP53TSHRHIF1ACYP3A4

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