SCHEMBL3671001

SCHEMBL3671001

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
XBP1 P17861 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
APAF1 O14727 1/20 0.40
TDP2 O95551 1/20 0.40
NSD2 O96028 1/20 0.40
GALK1 P51570 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
ALDH1A1 P00352 5/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL3674362 0.87 KDM2B (0.34) KDM4EXBP1KMT2AALDH1A1HPGD
SCHEMBL3670675 0.83 PKM (0.41) KDM4EXBP1SMN1; SMN2KMT2AALDH1A1
SCHEMBL3672637 0.83 KDM2B (0.35) KDM4EXBP1KMT2AALDH1A1NPC1
SCHEMBL3672688 0.81 CES2 (0.42) KDM4EXBP1CES2CES1HTT
SCHEMBL3672849 0.81 KDM2B (0.36) KDM4EXBP1ALDH1A1POLB
SCHEMBL3669312 0.81 MRGPRX4 (0.37) KDM4EXBP1SMN1; SMN2KMT2AALDH1A1
SCHEMBL256587 0.80 ALDH1A1 (0.45) KDM4ECES2CES1HTTSMN1; SMN2
SCHEMBL3671585 0.79 MRGPRX4 (0.34) KDM4EXBP1HTTSMN1; SMN2MAPT
SCHEMBL23866010 0.78 HPGD (0.51) SMN1; SMN2KMT2AHPGDNPC1LMNA
SCHEMBL28505006 0.77 RAB9A (0.41) SMN1; SMN2MAPTKMT2AALDH1A1HPGD

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