SCHEMBL8610040

SCHEMBL8610040

NC(CSc1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
KIF11 P52732 6/20 0.46
PDE7A Q13946 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GRM8 O00222 1/20 0.45
GRM4 Q14833 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 2/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL2003176 1.00 KDM4E (0.52) KDM4EALDH1A1MAPTKIF11PDE7A
SCHEMBL8904293 1.00 KDM4E (0.52) KDM4EALDH1A1MAPTKIF11PDE7A
SCHEMBL10970030 0.85 MAPT (0.49) KDM4EALDH1A1MAPTPDE7ASMN1; SMN2
SCHEMBL7979177 0.85 SLC6A2 (0.51) KDM4EALDH1A1MAPTPDE7ASMN1; SMN2
SCHEMBL9064821 0.84 GRM8 (0.49) KDM4EALDH1A1MAPTKIF11GRM8
SCHEMBL25180568 0.82 KIF11 (0.42) KDM4EALDH1A1MAPTKIF11
SCHEMBL25180569 0.82 KIF11 (0.42) KDM4EALDH1A1MAPTKIF11
SCHEMBL8964242 0.82 MAPT (0.61) ALDH1A1MAPTGRM8GRM4GAA
SCHEMBL8963352 0.82 MAPT (0.61) ALDH1A1MAPTGRM8GRM4GAA
SCHEMBL30377087 0.81 CYP1A2 (0.50) KDM4EALDH1A1MAPTPDE7ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5824663-A MALODOR FORMING ENZYME ACTS ON A SERINE ETHER TO RELEASE ODORLESS COMPOUND OR COMPOUND WITH PLEASANT ODOR RATHER THAN ACTING ON APOCRINE SECRETIONS TO PRODUCE MALODOR THE GILLETTE COMPANY (US) 1998-10-20 US disclosed
US-5514671-A SERINE ALKYL, CYCLOHEXYL OR AROMATIC ETHERS IN VEHICLE; SUPPRESSING BODY ODOR BY APPLYING TO SKIN THE GILLETTE COMPANY 1996-05-07 US disclosed
EP-0467318-B1 Fluorogenic tryptophanase substrates BECTON DICKINSON CO (US) 1995-04-26 EP disclosed
EP-0521871-A4 ALTERNATIVE ENZYME SUBSTRATES AS DEODORANTS 1993-03-10 EP disclosed
EP-0521871-A1 ALTERNATIVE ENZYME SUBSTRATES AS DEODORANTS THE GILLETTE COMPANY (US) 1993-01-13 EP disclosed
EP-0467318-A1 Fluorogenic tryptophanase substrates Becton, Dickinson and Company (US) 1992-01-22 EP disclosed
US-5055594-A Identifying microorganisms BECTON, DICKINSON AND COMPANY (US) 1991-10-08 US disclosed
WO-1991011988-A1 ALTERNATIVE ENZYME SUBSTRATES AS DEODORANTS THE GILLETTE COMPANY (US) 1991-08-22 WO disclosed