SCHEMBL3671211

SCHEMBL3671211

CC(C)(O)C(=O)c1ccc(COC(=O)NCc2cccc(CNC(=O)OCc3ccc(C(=O)C(C)(C)O)cc3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC3 O15379 2/20 0.48
PLAU P00749 1/20 0.47
NAMPT P43490 1/20 0.46
TPSAB1 Q15661 3/20 0.45
PRSS1 P07477 2/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 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
SCHEMBL3671499 0.82 HTT (0.50) TPSAB1TPSD1TPSG1SMN1; SMN2LMNA
SCHEMBL17864888 0.81 LMNA (0.61) HDAC1HDAC2HDAC3PLAUTPSAB1
SCHEMBL3671587 0.81 TGM2 (0.50) TPSAB1TPSD1TPSG1SMN1; SMN2LMNA
SCHEMBL3679607 0.81 TGM2 (0.50) TPSAB1TPSD1TPSG1SMN1; SMN2LMNA
SCHEMBL3681588 0.81 TGM2 (0.50) TPSAB1TPSD1TPSG1SMN1; SMN2LMNA
SCHEMBL3677653 0.81 TGM2 (0.50) TPSAB1TPSD1TPSG1SMN1; SMN2LMNA
SCHEMBL5570075 0.80 MEN1 (0.41) SMN1; SMN2LMNAL3MBTL1
SCHEMBL5569968 0.78 KMT2A (0.59) HDAC1HDAC2HDAC3NAMPTSMN1; SMN2
SCHEMBL3673244 0.78 RAB9A (0.52) SMN1; SMN2LMNAL3MBTL1
SCHEMBL27625466 0.78 L3MBTL1 (0.56) HDAC1HDAC2HDAC3PLAUSMN1; SMN2

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