SCHEMBL7929689

SCHEMBL7929689

[CH2]CC(CCCCCCCC)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.54
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
CNR2 P34972 1/20 0.42
MMP2 P08253 9/20 0.41
MMP1 P03956 4/20 0.41
MMP3 P08254 4/20 0.41
DNM1 Q05193 1/20 0.41
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.40
PKM P14618 1/20 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
SCHEMBL27460034 0.93 CSNK1E (0.45) CSNK1ECNR2
SCHEMBL29199074 0.89 CSNK1E (0.60) CSNK1ECNR2MMP2MMP1MMP3
SCHEMBL22806767 0.89 CSNK1E (0.60) CSNK1ECNR2MMP2MMP1MMP3
SCHEMBL8093074 0.89 CSNK1E (0.60) CSNK1ECNR2MMP2MMP1MMP3
SCHEMBL8095039 0.89 CSNK1E (0.60) CSNK1ECNR2MMP2MMP1MMP3
SCHEMBL30903825 0.89 CSNK1E (0.60) CSNK1ECNR2MMP2MMP1MMP3
SCHEMBL8094019 0.89 CSNK1E (0.60) CSNK1ECNR2MMP2MMP1MMP3
SCHEMBL8094331 0.89 CSNK1E (0.60) CSNK1ECNR2MMP2MMP1MMP3
SCHEMBL8100368 0.89 CSNK1E (0.60) CSNK1ECNR2MMP2MMP1MMP3
SCHEMBL8094075 0.89 CSNK1E (0.60) CSNK1ECNR2MMP2MMP1MMP3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0702686-B1 ANTIMICROBIAL SILOXANE QUATERNARY AMMONIUM SALTS KIMBERLY CLARK CO (US) 2001-09-05 EP disclosed
US-5853883-A Polyolefin fibers containing antimicrobial siloxane quaternary ammonium salts KIMBERLY-CLARK WORLDWIDE, INC. (US) 1998-12-29 US disclosed
US-5569732-A TRISILOXANE KIMBERLY-CLARK CORPORATION (US) 1996-10-29 US disclosed
US-5567372-A Method for preparing a nonwoven web containing antimicrobial siloxane quaternary ammonium salts KIMBERLY-CLARK CORPORATION (US) 1996-10-22 US disclosed
EP-0702686-A1 ANTIMICROBIAL SILOXANE QUATERNARY AMMONIUM SALTS KIMBERLY-CLARK CORPORATION (US) 1996-03-27 EP disclosed
WO-1994029325-A1 ANTIMICROBIAL SILOXANE QUATERNARY AMMONIUM SALTS KIMBERLY-CLARK CORPORATION (US) 1994-12-22 WO disclosed