SCHEMBL3679607

SCHEMBL3679607

CC(C)(O)C(=O)c1ccc(COC(=O)NCCCCCCCCCNC(=O)OCc2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.50
HTT P42858 1/20 0.49
KEAP1 Q14145 3/20 0.45
NFE2L2 Q16236 3/20 0.45
TPSAB1 Q15661 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
FAAH O00519 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MLYCD O95822 1/20 0.41
FOLH1 Q04609 1/20 0.41

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
SCHEMBL3681588 1.00 TGM2 (0.50) TGM2HTTKEAP1NFE2L2TPSAB1
SCHEMBL3677653 1.00 TGM2 (0.50) TGM2HTTKEAP1NFE2L2TPSAB1
SCHEMBL3671587 1.00 TGM2 (0.50) TGM2HTTKEAP1NFE2L2TPSAB1
SCHEMBL3671499 0.99 HTT (0.50) TGM2HTTKEAP1NFE2L2TPSAB1
SCHEMBL3671211 0.81 HDAC1 (0.48) TPSAB1TPSD1TPSG1LMNASMN1; SMN2
SCHEMBL3673808 0.81 SLC1A3 (0.37) TGM2HTTTPSAB1LMNASMN1; SMN2
SCHEMBL3679188 0.81 KEAP1 (0.45) TGM2HTTKEAP1NFE2L2TPSAB1
SCHEMBL3670930 0.81 KMT2A (0.62) HTTLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL4418453 0.80 ALDH1A1 (0.37) TGM2HTTKEAP1NFE2L2TPSAB1
SCHEMBL4428562 0.80 ALDH1A1 (0.37) TGM2HTTKEAP1NFE2L2TPSAB1

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
US-7642296-B2 2-hydroxy-1-(4-hydroxymethyl-phenyl)-2-methyl-propan-1-one, have higher reactivity at the benzylic hydroxy group and do not have a tendency to yellowing; photocurable composition for pigmented or non-pigmented varnish surface coatings CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-01-05 US disclosed
US-20070240609-A1 Photoinitiators IGM GROUP B.V. (NL) 2007-10-18 US disclosed
EP-1763499-B1 NEW PHOTOINITIATORS CIBA SC HOLDING AG (CH) 2007-09-26 EP disclosed
EP-1763499-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-03-21 EP disclosed
WO-2005100292-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-10-27 WO disclosed