SCHEMBL2832844

SCHEMBL2832844

CC(OCC1CO1)Oc1c(C(C)C)cc(-c2cc(C(C)C)c(OC(C)OCC3CO3)c(C(C)C)c2)cc1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
TP53 P04637 3/20 0.33
TSHR P16473 3/20 0.33
HIF1A Q16665 2/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
GLA P06280 1/20 0.32
SRD5A2 P31213 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARG P37231 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
SCHEMBL2829882 0.88 ALDH1A1 (0.32) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2831069 0.88 ALDH1A1 (0.32) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2829252 0.86 ALDH1A1 (0.36) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2836412 0.85 TSHR (0.42) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2836085 0.82 ALDH1A1 (0.43) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2829962 0.82 ALDH1A1 (0.32) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2833470 0.81 TSHR (0.37) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2829931 0.79 TSHR (0.34) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2831807 0.77 TSHR (0.35) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2834198 0.77 ALDH1A1 (0.33) 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