SCHEMBL3674302

SCHEMBL3674302

CC(C)(O)C(=O)c1ccc(CC(OC(=O)c2ccccc2C(=O)O)c2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
UTS2R Q9UKP6 4/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
TSHR P16473 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
RECQL P46063 1/20 0.34
AKR1C3 P42330 1/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX15 P16050 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL3670931 0.85 ALDH1A1 (0.41) ALDH1A1UTS2RADRB1ADRB3
SCHEMBL3673246 0.82 MRGPRX4 (0.39) UTS2RTP53
SCHEMBL3752645 0.80 ALDH1A1 (0.54) ALDH1A1KDM4ELMNACYP1A2HPGD
SCHEMBL3671962 0.78 PTGS1 (0.34) ADRB3TSHRLMNACYP2C9AKR1C3
SCHEMBL3677451 0.77 USP5 (0.38) ADRB3TSHRLMNACYP2C9AKR1C3
SCHEMBL3668173 0.75 HSD17B10 (0.37) HSD17B10
SCHEMBL5569722 0.74 HSD17B10 (0.36) HSD17B10
SCHEMBL3674301 0.72 ALDH1A1 (0.55) ALDH1A1TSHRKDM4ELMNACYP1A2
SCHEMBL226267 0.72 ALDH1A1 (0.54) ALDH1A1UTS2RTSHRKDM4ELMNA
SCHEMBL9419435 0.72 ALDH1A1 (0.48) ALDH1A1UTS2RADRB1ADRB3TSHR

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