SCHEMBL2834994

SCHEMBL2834994

CCC(Oc1c(C(C)C)cc(C(C)(C)c2cc(C(C)C)c(OC(CC)C3CO3)c(C(C)C)c2)cc1C(C)C)C1CO1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.35
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PPARG P37231 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL2835838 0.85 TP53 (0.36) TP53MAPTHPGDTSHRMEN1
SCHEMBL2832745 0.83 TP53 (0.31) TP53MAPTHPGDTSHRMEN1
SCHEMBL2832805 0.83 TP53 (0.31) TP53MAPTHPGDTSHRMEN1
SCHEMBL2833177 0.82
SCHEMBL2832688 0.82
SCHEMBL2831477 0.82 TP53 (0.31) TP53MAPTHPGDTSHRMEN1
SCHEMBL2836566 0.81 TP53 (0.30) TP53MAPTHPGDTSHRMEN1
SCHEMBL2836413 0.80 ALDH1A1 (0.33) TP53MAPTHPGDTSHRMEN1
SCHEMBL2832780 0.77 RORC (0.31) RORCTP53MAPTHPGDTSHR
SCHEMBL2832880 0.74 TSHR (0.32) TP53MAPTHPGDTSHRMEN1

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