SCHEMBL4420966

SCHEMBL4420966

CC(C)(O)C(=O)c1ccc(C(O)c2cccc(C(=O)C(C)(C)O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
ELANE P08246 1/20 0.38
RXRA P19793 1/20 0.38
ACHE P22303 2/20 0.37
MAPT P10636 2/20 0.36
PTGS1 P23219 2/20 0.36
CXCR1 P25024 2/20 0.36
CXCR2 P25025 2/20 0.36
PTGS2 P35354 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SRD5A2 P31213 1/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36

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 0.87 SRD5A2 (0.47) CA1CA2CA9ELANERXRA
SCHEMBL480335 0.87 ELANE (0.47) CA1CA2CA9ELANERXRA
SCHEMBL4418821 0.82 ACHE (0.36) ACHEMAPTPTGS1CXCR1CXCR2
SCHEMBL4416260 0.82 ACHE (0.36) ACHEMAPTPTGS1CXCR1CXCR2
SCHEMBL4425374 0.82 TP53BP1 (0.36) ACHEMAPTPTGS1CXCR1CXCR2
SCHEMBL4414918 0.81 CHEK2 (0.37) ACHEMAPTPTGS1CXCR1CXCR2
SCHEMBL4429430 0.81 ACHE (0.35) ACHEMAPTPTGS1CXCR1CXCR2
SCHEMBL12013627 0.77 ACHE (0.50) RXRAACHECYP3A4HSD17B10
SCHEMBL10942319 0.77 MAPT (0.53) RXRAMAPTPTGS1CXCR1CXCR2
SCHEMBL3671849 0.76 CA2 (0.37) CA2ELANEALDH1A1HPGDHSD17B10

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 7 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-7462650-B2 Trifunctional photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-09 US 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