SCHEMBL2829942

SCHEMBL2829942

CCc1cc(C(C)(C)c2cc(CC)c(OCC(OC)C3CO3)c(CC)c2)cc(CC)c1OCC(OC)C1CO1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.32
HIF1A Q16665 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
SCHEMBL2833188 0.84 DHFR (0.32)
SCHEMBL2831154 0.84
SCHEMBL2831263 0.83 ALDH1A1 (0.34) ALDH1A1TP53MAPTHPGDTSHR
SCHEMBL2833565 0.82 ALDH1A1 (0.32) ALDH1A1TP53MAPTHPGDTSHR
SCHEMBL2836413 0.82 ALDH1A1 (0.33) ALDH1A1TP53MAPTHPGDTSHR
SCHEMBL2832745 0.80 TP53 (0.31) ALDH1A1TP53MAPTHPGDTSHR
SCHEMBL2834206 0.77 CNR2 (0.33)
SCHEMBL2829697 0.75 TP53 (0.31) ALDH1A1TP53MAPTHPGDTSHR
SCHEMBL11171120 0.75 KMT2A (0.55) ALDH1A1TP53MAPTHPGDTSHR
SCHEMBL2829790 0.75 TP53 (0.32) ALDH1A1TP53MAPTHPGDTSHR

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