SCHEMBL3673110

SCHEMBL3673110

CC(C)(O)C(=O)c1ccc(COC(=O)C(CC(=O)O)C(CC(=O)OC(Cc2ccc(C(=O)C(C)(C)O)cc2)c2ccc(C(=O)C(C)(C)O)cc2)C(=O)OCc2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.34
PPARG P37231 2/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
GCGR P47871 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL3673108 0.81 KMT2A (0.38) MEN1KMT2ARXRARXRB
SCHEMBL3671962 0.81 PTGS1 (0.34) ESR1ESR2GCGRLMNA
SCHEMBL3677451 0.79 USP5 (0.38) FFAR1ESR1ESR2GCGRLMNA
SCHEMBL3668173 0.78 HSD17B10 (0.37) FFAR1ESR1ESR2GCGR
SCHEMBL5569722 0.77 HSD17B10 (0.36) GCGR
SCHEMBL3670931 0.73 ALDH1A1 (0.41) RXRARXRB
SCHEMBL5605389 0.73 ALDH1A1 (0.32) MEN1KMT2A
SCHEMBL3670930 0.70 KMT2A (0.62) MEN1KMT2ALMNA
SCHEMBL3674302 0.70 ALDH1A1 (0.40) PPARGLMNA
SCHEMBL3677449 0.69 RAB9A (0.45) MEN1KMT2A

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 3 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