SCHEMBL3671983

SCHEMBL3671983

Cc1ccc(C(=O)C2(Br)CCCCC2)cc1CBr

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
KMT2A Q03164 2/20 0.34
GSK3B P49841 1/20 0.33
THRB P10828 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GNG2 P59768 1/20 0.33
GNB1 P62873 1/20 0.33
KDM4E B2RXH2 1/20 0.32
XBP1 P17861 1/20 0.32
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL27651113 0.89 OPRM1 (0.36) LMNAHPGDTSHROPRM1OPRD1
SCHEMBL3669453 0.89 LMNA (0.35) LMNAHPGDTSHROPRM1OPRD1
SCHEMBL3678900 0.87 OPRM1 (0.34) LMNAOPRM1OPRD1GSK3BKDM4E
SCHEMBL3672688 0.83 CES2 (0.42) LMNAHPGDTSHRKMT2ATHRB
SCHEMBL27651122 0.81 GSK3B (0.35) LMNAHPGDTSHROPRM1OPRD1
SCHEMBL16494602 0.74 HTT (0.48) LMNAHPGDTSHRGSK3BALDH1A1
SCHEMBL7968434 0.73 MRGPRX4 (0.49) TSHRKMT2AKDM4EALDH1A1MEN1
SCHEMBL3670675 0.72 PKM (0.41) LMNAHPGDTSHRKMT2ACYP2D6
SCHEMBL30006284 0.72 PARP1 (0.44) KMT2ASLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL3669312 0.70 MRGPRX4 (0.37) KMT2ATHRBCYP2D6SLC6A2SLC6A4

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
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-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
US-20070240609-A1 Photoinitiators IGM GROUP B.V. (NL) 2007-10-18 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