SCHEMBL7941239

SCHEMBL7941239

[CH2]CC(CCC)c1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MIF P14174 1/20 0.40
MMP1 P03956 1/20 0.40
MMP13 P45452 1/20 0.40
ESR1 P03372 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
SCHEMBL1198451 0.88 ALDH1A1 (0.49) ALDH1A1L3MBTL1TAS1R3TAS1R1CA12
SCHEMBL27695310 0.86 SLC2A1 (0.44) ALDH1A1L3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL1219105 0.86 CA12 (0.50) ALDH1A1L3MBTL1CA12CA1CA2
SCHEMBL27353647 0.84 NQO1 (0.50) ALDH1A1L3MBTL1TAS1R3TAS1R1CA12
SCHEMBL24241906 0.81 MMP13 (0.44) ALDH1A1L3MBTL1TAS1R3TAS1R1CA12
SCHEMBL9872486 0.81 ALDH1A1 (0.51) ALDH1A1L3MBTL1TAS1R3TAS1R1CA12
SCHEMBL6568913 0.80 ALDH1A1 (0.44) ALDH1A1L3MBTL1TAS1R3TAS1R1CA12
SCHEMBL14432534 0.80 ALDH1A1 (0.43) ALDH1A1L3MBTL1TAS1R3TAS1R1CA12
SCHEMBL14557263 0.79 ALDH1A1 (0.42) ALDH1A1L3MBTL1TAS1R3TAS1R1CA12
SCHEMBL14561852 0.79 ALDH1A1 (0.42) ALDH1A1L3MBTL1TAS1R3TAS1R1CA12

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