SCHEMBL2830403

SCHEMBL2830403

Cc1cc(C(C)(C)c2cc(C)c(OCCCC(C)C3CO3)c(C)c2)cc(C)c1OCCCC(C)C1CO1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.36
HIF1A Q16665 1/20 0.36
HTR1A P08908 2/20 0.34
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
NR1I2 O75469 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
SCHEMBL2833730 0.87 HTR1A (0.36) MEN1KMT2AALDH1A1HTR1ACYP3A4
SCHEMBL2832880 0.86 TSHR (0.32) TP53MAPTHPGDTSHRMEN1
SCHEMBL2829886 0.86 CYP3A4 (0.40) TP53MAPTHPGDTSHRMEN1
SCHEMBL2829697 0.85 TP53 (0.31) TP53MAPTHPGDTSHRMEN1
SCHEMBL2834983 0.84 HTR1A (0.34) ALDH1A1HTR1A
SCHEMBL2833309 0.84 HTR1A (0.37) MEN1KMT2AALDH1A1HTR1A
SCHEMBL2836120 0.84 TP53 (0.35) TP53MAPTHPGDTSHRMEN1
SCHEMBL2831082 0.83 CYP3A4 (0.30) TP53MAPTHPGDTSHRMEN1
SCHEMBL2835815 0.83 PPARG (0.32) TP53MAPTHPGDTSHRMEN1
SCHEMBL2830445 0.83 TP53 (0.34) 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