SCHEMBL7937773

SCHEMBL7937773

[CH2]CC(C)CC(C)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.64
TAAR1 Q96RJ0 4/20 0.50
AOC3 Q16853 2/20 0.45
RIPK1 Q13546 1/20 0.44
SIGMAR1 Q99720 1/20 0.37
CACNA1F O60840 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2B P18089 1/20 0.37
CHRM3 P20309 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
OPRK1 P41145 1/20 0.37
CACNA1D Q01668 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
SCN5A Q14524 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL5083303 0.84 HRH1 (0.47) TRPA1TAAR1AOC3CACNA1FCHRM2
SCHEMBL6704370 0.81 TAAR1 (0.58) TRPA1TAAR1AOC3RIPK1KDM4E
SCHEMBL184799 0.81 TAAR1 (0.58) TRPA1TAAR1AOC3RIPK1KDM4E
SCHEMBL3672929 0.81 TRPA1 (0.67) TRPA1TAAR1AOC3RIPK1CACNA1F
SCHEMBL6956036 0.81 TRPA1 (0.52) TRPA1TAAR1AOC3RIPK1CACNA1F
SCHEMBL29224030 0.80 TRPA1 (0.67) TRPA1TAAR1AOC3RIPK1SIGMAR1
SCHEMBL19333061 0.80 TRPA1 (0.67) TRPA1TAAR1AOC3RIPK1SIGMAR1
SCHEMBL9490631 0.80 TRPA1 (0.67) TRPA1TAAR1AOC3RIPK1
Hydrochloric Acid SCHEMBL10398962 0.79 TAAR1 (0.56) TRPA1TAAR1AOC3RIPK1KDM4E
SCHEMBL295543 0.78 TRPA1 (1.00) TRPA1TAAR1AOC3RIPK1KDM4E

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 11 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-5854147-A Non-woven web containing antimicrobial siloxane quaternary ammonium salts KIMBERLY-CLARK WORLDWIDE, INC. (US) 1998-12-29 US disclosed
US-5853641-A Method for preparing polyolefin fibers containing antimicrobial siloxane quarternary ammonium salts KIMBERLY-CLARK WORLDWIDE, INC. (US) 1998-12-29 US disclosed
US-5853883-A Polyolefin fibers containing antimicrobial siloxane quaternary ammonium salts KIMBERLY-CLARK WORLDWIDE, INC. (US) 1998-12-29 US disclosed
US-5777010-A BLEND WITH THERMOPLASTIC POLYOLEFIN KIMBERLY-CLARK WORLDWIDE, INC. (US) 1998-07-07 US disclosed
EP-0760821-A1 ANTIMICROBIAL SILOXANE QUATERNARY AMMONIUM SALTS KIMBERLY-CLARK CORPORATION (US) 1997-03-12 EP 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-1995032977-A1 ANTIMICROBIAL SILOXANE QUATERNARY AMMONIUM SALTS KIMBERLY-CLARK CORPORATION (US) 1995-12-07 WO disclosed
WO-1994029325-A1 ANTIMICROBIAL SILOXANE QUATERNARY AMMONIUM SALTS KIMBERLY-CLARK CORPORATION (US) 1994-12-22 WO disclosed