SCHEMBL7312975

SCHEMBL7312975

CC(C)C[C@@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.41
KCNN4 O15554 2/20 0.40
KIF11 P52732 1/20 0.38
ADORA1 P30542 2/20 0.37
ADORA2A P29274 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
CACNA1F O60840 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA2B P18089 1/20 0.35
CHRM3 P20309 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
OPRK1 P41145 1/20 0.35
CACNA1D Q01668 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL7317772 1.00 TRPA1 (0.41) TRPA1KCNN4KIF11ADORA1ADORA2A
SCHEMBL7479981 0.85 KCNN4 (0.43) TRPA1KCNN4KIF11ALDH1A1CYP3A4
SCHEMBL3856980 0.82 KCNN4 (0.47) TRPA1KCNN4KIF11ALDH1A1LMNA
SCHEMBL3302423 0.82 KCNN4 (0.47) TRPA1KCNN4KIF11ALDH1A1LMNA
SCHEMBL3302429 0.82 KCNN4 (0.47) TRPA1KCNN4KIF11ALDH1A1LMNA
SCHEMBL8945099 0.79 KCNN4 (0.40) TRPA1KCNN4KIF11ALDH1A1CYP3A4
SCHEMBL8945088 0.79 KCNN4 (0.40) TRPA1KCNN4KIF11ALDH1A1CYP3A4
SCHEMBL10029077 0.79 KCNN4 (0.44) TRPA1KCNN4KIF11CYP3A4MAPK1
SCHEMBL569601 0.79 KIF11 (0.44) KCNN4KIF11CYP3A4MAPK1LMNA
SCHEMBL569600 0.79 KIF11 (0.44) KCNN4KIF11CYP3A4MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180586-B1 PEPTIDE ALDEHYDES AND TRIFLUOROMETHYL KETONE STABILIZERS THE PROCTER & GAMBLE COMPANY 2001-01-30 US disclosed
US-6165966-A Liquid detergents containing proteolytic enzyme and protease inhibitors THE PROCTER & GAMBLE COMPANY (US) 2000-12-26 US disclosed
US-6162783-A Liquid detergents containing proteolytic enzyme and protease inhibitors THE PROCTER & GAMBLE COMPANY (US) 2000-12-19 US disclosed
EP-0929640-A1 LIQUID DETERGENTS CONTAINING PROTEOLYTIC ENZYME AND PROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-07-21 EP disclosed
EP-0929638-A1 LIQUID DETERGENTS CONTAINING PROTEOLYTIC ENZYME AND PROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-07-21 EP disclosed
EP-0929642-A1 LIQUID LAUNDRY DETERGENT COMPOSITIONS CONTAINING PROTEOLYTIC ENZYME AND PROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-07-21 EP disclosed
US-5840678-A REVERSIBLE PROTEOLYTIC ENZYME INHIBITORS PROCTER & GAMBLE COMPANY (US) 1998-11-24 US disclosed
WO-1998013460-A1 LIQUID DETERGENTS CONTAINING PROTEOLYTIC ENZYME AND PROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1998-04-02 WO disclosed
WO-1998013458-A1 LIQUID DETERGENTS CONTAINING PROTEOLYTIC ENZYME AND PROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1998-04-02 WO disclosed
WO-1998013461-A1 LIQUID LAUNDRY DETERGENT COMPOSITIONS CONTAINING PROTEOLYTIC ENZYME AND PROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1998-04-02 WO disclosed
US-5582762-A Liquid detergents containing a peptide trifluoromethyl ketone THE PROCTER & GAMBLE COMPANY (US) 1996-12-10 US disclosed
EP-0583535-B1 Liquid detergents containing a peptide trifluoromethyl ketone PROCTER & GAMBLE (US) 1996-11-27 EP disclosed
WO-1994004652-A1 LIQUID DETERGENTS CONTAINING A PEPTIDE TRIFLUOROMETHYL KETONE THE PROCTER & GAMBLE COMPANY (US) 1994-03-03 WO disclosed
EP-0583535-A1 Liquid detergents containing a peptide trifluoromethyl ketone THE PROCTER & GAMBLE COMPANY (US) 1994-02-23 EP disclosed
US-4864017-A Novel renin inhibiting peptides having a dihyroxyethylene isostere transition state insert THE UPJOHN COMPANY (US) 1989-09-05 US disclosed
EP-0237202-A2 Novel renin inhibiting peptides having a dihydroxyethylene isostere transition state insert THE UPJOHN COMPANY (US) 1987-09-16 EP disclosed
WO-1987005302-A1 NOVEL RENIN-INHIBITING PEPTIDES HAVING A DIHYDROXYETHYLENE ISOSTERE TRANSITION STATE INSERT THE UPJOHN COMPANY (US) 1987-09-11 WO disclosed