SCHEMBL3671499

SCHEMBL3671499

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
TGM2 P21980 2/20 0.48
KEAP1 Q14145 3/20 0.46
NFE2L2 Q16236 3/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL3677653 0.99 TGM2 (0.50) HTTTGM2KEAP1NFE2L2LMNA
SCHEMBL3679607 0.99 TGM2 (0.50) HTTTGM2KEAP1NFE2L2LMNA
SCHEMBL3671587 0.99 TGM2 (0.50) HTTTGM2KEAP1NFE2L2LMNA
SCHEMBL3681588 0.99 TGM2 (0.50) HTTTGM2KEAP1NFE2L2LMNA
SCHEMBL3671211 0.82 HDAC1 (0.48) LMNASMN1; SMN2TPSAB1TPSD1TPSG1
SCHEMBL3670930 0.82 KMT2A (0.62) HTTLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL5569968 0.81 KMT2A (0.59) SMN1; SMN2MAPTL3MBTL1ALDH1A1MEN1
SCHEMBL3671959 0.80 ALDH1A1 (0.44) LMNASMN1; SMN2MAPTL3MBTL1ALDH1A1
SCHEMBL3681737 0.80 SMN1; SMN2 (0.36) HTTLMNASMN1; SMN2TPSAB1MAPT
SCHEMBL3673808 0.80 SLC1A3 (0.37) HTTTGM2LMNASMN1; SMN2TPSAB1

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