SCHEMBL7019565

SCHEMBL7019565

CCCCCCCCOC(=O)CCc1cc(-n2nc3ccccc3n2)cc(C(C)(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.39
P2RY10 O00398 3/20 0.38
GPR34 Q9UPC5 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
TSHR P16473 1/20 0.36
F2R P25116 1/20 0.35
DGKA P23743 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2164286 0.90 EPHX2 (0.37) ALDH1A1P2RY10GPR34DGKATDP1
SCHEMBL12735355 0.89 ALDH1A1 (0.40) ALDH1A1KDM4EP2RY10GPR34HPGD
SCHEMBL2491248 0.83 CNR2 (0.41) ALDH1A1KDM4EP2RY10HPGDHSD17B10
SCHEMBL14524786 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EP2RY10GPR34HPGD
SCHEMBL29145739 0.83 CNR2 (0.41) ALDH1A1KDM4EP2RY10HPGDHSD17B10
SCHEMBL9871733 0.83 CNR2 (0.41) ALDH1A1KDM4EP2RY10HPGDHSD17B10
SCHEMBL29397430 0.83 CNR2 (0.41) ALDH1A1KDM4EP2RY10HPGDHSD17B10
SCHEMBL5630244 0.83 CNR2 (0.41) ALDH1A1KDM4EP2RY10HPGDHSD17B10
SCHEMBL9229225 0.83 CNR2 (0.41) ALDH1A1KDM4EP2RY10HPGDHSD17B10
SCHEMBL30263 0.83 CNR2 (0.41) ALDH1A1KDM4EP2RY10HPGDHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983277-B1 POLYBORATE COINITIATORS FOR PHOTOPOLYMERIZATION CIBA SC HOLDING AG (CH) 2003-01-22 EP disclosed