SCHEMBL3673193

SCHEMBL3673193

CC(C)Cc1ccc(C(=O)C(C)(C)Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.49
PTGS2 P35354 4/20 0.49
LMNA P02545 3/20 0.49
CYP2C9 P11712 2/20 0.49
AKR1C3 P42330 2/20 0.49
CXCR1 P25024 2/20 0.49
CXCR2 P25025 2/20 0.49
ALOX5 P09917 2/20 0.49
ALB P02768 1/20 0.49
ESR1 P03372 1/20 0.49
RARB P10826 1/20 0.49
ADRB3 P13945 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR2A P28223 1/20 0.49
NR1I3 Q14994 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
CXCL8 P10145 1/20 0.49
TSHR P16473 1/20 0.49
AKR1C2 P52895 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL10746439 0.89 PTGS1 (0.49) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL8792653 0.87 PTGS1 (0.50) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL10748129 0.84 FAAH (0.47) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL13024171 0.81 PTGS1 (0.49) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL28191602 0.81 PTGS1 (0.45) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL4418249 0.80 KMT2A (0.56) LMNAESR1ALDH1A1KMT2A
SCHEMBL6687329 0.79 ALDH1A1 (0.57) LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL3671949 0.79 CES2 (0.52) LMNATSHRALDH1A1KMT2A
SCHEMBL10966592 0.78 CXCR1 (0.46) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL21064585 0.78 PTGS1 (0.57) PTGS1PTGS2LMNACYP2C9AKR1C3

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