SCHEMBL4428583

SCHEMBL4428583

CC(C)(O)C(=O)c1ccc(C(OCc2ccc(CO)cc2)c2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
EPHX2 P34913 1/20 0.37
RXRA P19793 4/20 0.36
RXRB P28702 3/20 0.36
HNF4A P41235 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
NR4A2 P43354 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
ADCY6 O43306 1/20 0.32
ADCY3 O60266 1/20 0.32
ADCY9 O60503 1/20 0.32
ADCY5 O95622 1/20 0.32
ADCY8 P40145 1/20 0.32
GCGR P47871 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
SCHEMBL4428610 0.94 RXRA (0.39) PPARGRXRARXRBHNF4ASMN1; SMN2
SCHEMBL4428575 0.87 SLC1A3 (0.40) RXRARXRBHNF4AHPGDADRB2
SCHEMBL4428613 0.84 RXRA (0.36) PPARGEPHX2RXRARXRBHNF4A
SCHEMBL480503 0.82 EPHX2 (0.49) PPARGPPARAEPHX2SMN1; SMN2HPGD
SCHEMBL4421789 0.81 SLC6A4 (0.37) TSHRSLC6A2SLC6A3
SCHEMBL4422002 0.80 SLC6A4 (0.35) SLC6A2SLC6A3
SCHEMBL4424402 0.79 SLC6A4 (0.36) RXRAHNF4ATSHRSLC6A2SLC6A3
SCHEMBL4414842 0.79 BCHE (0.36) RXRAHNF4ATSHR
SCHEMBL4427246 0.78 GAA (0.38) RXRAHNF4ATSHRSLC6A2SLC6A3
SCHEMBL4422392 0.78 ELANE (0.33) SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620475-B1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2009-11-11 EP disclosed
US-7462650-B2 Trifunctional photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-09 US disclosed
US-20060270748-A1 Novel trifunctional photoinitiators IGM GROUP B.V. (NL) 2006-11-30 US disclosed
EP-1620475-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS Ciba SC Holding AG (CH) 2006-02-01 EP disclosed
WO-2004099262-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-11-18 WO disclosed