SCHEMBL4428618

SCHEMBL4428618

CC(C)(O)C(=O)c1ccc(C(O)c2ccccc2C(=O)C(C)(C)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.36
ELANE P08246 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHEK2 O96017 3/20 0.33
FASN P49327 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
SRC P12931 1/20 0.32
CES1 P23141 2/20 0.31
CES2 O00748 1/20 0.31
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 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
SCHEMBL3674923 0.82 SRD5A2 (0.47) SRD5A2ELANEALDH1A1CHEK2FASN
SCHEMBL480335 0.82 ELANE (0.47) SRD5A2ELANECYP2C9ALDH1A1FASN
SCHEMBL4421111 0.81 SRC (0.33) SRD5A2KMT2AALDH1A1GAATDP1
SCHEMBL2017665 0.77 CYP3A4 (0.44) KMT2AMAPTALDH1A1CA1CA2
SCHEMBL3671849 0.75 CA2 (0.37) ELANECYP2C9ALDH1A1FASNCA2
SCHEMBL4420966 0.74 CA1 (0.44) SRD5A2ELANEMAPTALDH1A1CA1
SCHEMBL537689 0.73 PTPN5 (0.38) ELANECYP2C9ALDH1A1CA2CES1
SCHEMBL21652595 0.72 SRD5A2 (0.56) SRD5A2KMT2AMEN1MAPTALDH1A1
SCHEMBL1409972 0.72 CYP2C9 (0.49) KMT2AMEN1MAPTCYP2C9ALDH1A1
SCHEMBL11298330 0.72 CA2 (0.46) SRD5A2ELANEALDH1A1FASNCA2

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