SCHEMBL7618312

SCHEMBL7618312

CCS(=O)(=O)NC1(CC(=O)O)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
CACNA2D1 P54289 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD11B1 P28845 1/20 0.33
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FFAR3 O14843 1/20 0.31
KMT2A Q03164 1/20 0.30
MME P08473 1/20 0.30

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
SCHEMBL19113010 0.77
SCHEMBL15798070 0.75 CYP2C19 (0.48) CYP2C19CYP1A2ALDH1A1USP2LMNA
Hydrochloric Acid SCHEMBL27856474 0.73 CYP2C19 (0.47) CYP2C19CYP1A2ALDH1A1USP2LMNA
SCHEMBL8695790 0.73 CYP2C19 (0.42) CYP2C19CYP1A2ALDH1A1USP2LMNA
SCHEMBL1825623 0.72 CYP2C19 (0.45) CYP2C19CYP1A2ALDH1A1USP2LMNA
SCHEMBL27608123 0.72 CYP2C19 (0.45) CYP2C19CYP1A2ALDH1A1USP2LMNA
SCHEMBL3369935 0.72 CYP2C19 (0.45) CYP2C19CYP1A2ALDH1A1USP2LMNA
SCHEMBL5019821 0.71 CYP2C19 (0.48) CYP2C19CYP1A2ALDH1A1USP2LMNA
SCHEMBL5608240 0.71 CYP2C19 (0.48) CYP2C19CYP1A2ALDH1A1USP2LMNA
SCHEMBL3373260 0.69 CYP2C19 (0.42) CYP2C19CYP1A2ALDH1A1USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968178-B1 N-SULPHONYL AND N-SULPHINYL AMINO ACID AMIDES AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2002-06-05 EP disclosed
US-6194463-B1 SUCH AS ALPHA-(ETHYLSULFONYLAMINO)-CYCLOHEXANEACETIC ACID N-(2-(4-HYDROXY-3-METHOXYPHENYL)-ETHYL)-AMIDE; USE SUCH AS FOR CONTROLLING FUNGAL DISEASES IN CROPS NOVARTIS CROP PROTECTION, INC. 2001-02-27 US disclosed
EP-0968178-A1 N-SULPHONYL AND N-SULPHINYL AMINO ACID AMIDES AS MICROBICIDES Novartis AG (CH) 2000-01-05 EP disclosed
WO-1998038160-A1 N-SULPHONYL AND N-SULPHINYL AMINO ACID AMIDES AS MICROBICIDES NOVARTIS AG (CH) 1998-09-03 WO disclosed