SCHEMBL2832912

SCHEMBL2832912

CCCc1cc(-c2ccc(-c3ccc(OC(C)OCC4CO4)cc3)cc2)ccc1OC(C)OCC1CO1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
ALOX5 P09917 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
TP53 P04637 3/20 0.31
TSHR P16473 3/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HIF1A Q16665 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2830247 0.93 CNR1 (0.33) FFAR4SMN1; SMN2CA12CA9
SCHEMBL2831545 0.91 SRD5A2 (0.37) PPARGS1PR1FFAR4TP53TSHR
SCHEMBL2720930 0.84 PPARG (0.36) PPARGPPARAS1PR1FFAR4TP53
SCHEMBL2829125 0.83
SCHEMBL2719930 0.83 ALDH1A1 (0.41) PPARGTP53TSHRMAPTHPGD
SCHEMBL2829820 0.83 ALDH1A1 (0.41) PPARGTP53TSHRMAPTHPGD
SCHEMBL2834198 0.82 ALDH1A1 (0.33) PPARGTP53TSHRMAPTHPGD
SCHEMBL2832491 0.82 TP53 (0.31) PPARGTP53TSHRMAPTHPGD
SCHEMBL2832850 0.81 ALDH1A1 (0.39) PPARGTP53TSHRMAPTHPGD
SCHEMBL2717933 0.78 ALDH1A1 (0.47) PPARGPPARDPPARAALOX5GABRA1

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