SCHEMBL2833430

SCHEMBL2833430

CC(OCC1CO1)Oc1c(C(C)(C)C)cc(Cc2cc(C(C)(C)C)c(OC(C)OCC3CO3)c(C(C)(C)C)c2)cc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 3/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
PPARG P37231 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPK1 P28482 1/20 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
SCHEMBL2835746 0.92 ALDH1A1 (0.33) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2833470 0.89 TSHR (0.37) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2833769 0.88 ALDH1A1 (0.31) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2831548 0.87 ALDH1A1 (0.30) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2831259 0.86 TSHR (0.41) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2836026 0.83 ALDH1A1 (0.34) ALDH1A1TSHRTP53HIF1A
SCHEMBL2831069 0.82 ALDH1A1 (0.32) ALDH1A1TSHRTP53HIF1A
SCHEMBL2833479 0.81 ALDH1A1 (0.31) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2830531 0.80 ALDH1A1 (0.44) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2830487 0.80 ALDH1A1 (0.30) ALDH1A1TSHRTP53MAPTHPGD

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