SCHEMBL3672688

SCHEMBL3672688

Cc1ccc(C(=O)C2(Br)CCCCC2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.40
XBP1 P17861 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
NPC1 O15118 2/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
RAB9A P51151 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL3671983 0.83 LMNA (0.35) SMN1; SMN2KDM4EXBP1ALDH1A1HPGD
SCHEMBL3669453 0.83 LMNA (0.35) HPGDTSHRTHRBNPC1LMNA
SCHEMBL3671001 0.81 KDM4E (0.44) CES2CES1HTTSMN1; SMN2KDM4E
SCHEMBL27651113 0.81 OPRM1 (0.36) SMN1; SMN2KDM4EXBP1HPGDTSHR
SCHEMBL27651122 0.81 GSK3B (0.35) SMN1; SMN2ALDH1A1HPGDTSHRNPC1
SCHEMBL3678900 0.74 OPRM1 (0.34) SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL726159 0.73 MEN1 (0.46) SMN1; SMN2ALDH1A1HPGDTSHRNPC1
SCHEMBL1446377 0.73 AKR1C1 (0.42) CES2CES1HTTALDH1A1HPGD
SCHEMBL27265767 0.73 HTT (0.41) HTTKDM4EALDH1A1HPGDTSHR
SCHEMBL727190 0.72 HTT (0.47) HTTKMT2A

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 7 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
CN-100548955-C photoinitiator CIBA SC HOLDING AG (CH) 2009-10-14 CN 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
CN-1942424-A Novel photoinitiators CIBA SC HOLDING AG (CH) 2007-04-04 CN 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