SCHEMBL1729385

SCHEMBL1729385

CC(C)OC(=O)N[C@@H](C(=O)O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
PLA2G2A P14555 1/20 0.40
PLA2G5 P39877 1/20 0.40
TYR P14679 1/20 0.39
FPR2 P25090 1/20 0.39
TSHR P16473 1/20 0.37
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 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
SCHEMBL903601 1.00 NPSR1 (0.42) NPSR1SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL5552041 1.00 NPSR1 (0.42) NPSR1SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL15701448 0.83 HTT (0.39) NPSR1SMN1; SMN2ALDH1A1HTTHPGD
SCHEMBL4745432 0.83 CTSS (0.39) HTTCTSSCTSK
SCHEMBL13192726 0.83 HTT (0.38) SMN1; SMN2HTTHPGDTSHRCTSS
SCHEMBL12631270 0.83 TSHR (0.42) SMN1; SMN2ALDH1A1HTTHPGDTSHR
SCHEMBL10441262 0.83 TSHR (0.42) SMN1; SMN2ALDH1A1HTTHPGDTSHR
SCHEMBL10442172 0.82 ALDH1A1 (0.43) NPSR1SMN1; SMN2ALDH1A1HTTPLA2G2A
SCHEMBL191467 0.82 SMN1; SMN2 (0.44) NPSR1SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL4994 0.82 SMN1; SMN2 (0.44) NPSR1SMN1; SMN2ALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1440970-B1 Benzenesulfonic acid salt of 1-(6-halogeno-2-benzothiazolyl)ethylamine IHARA CHEMICAL IND CO (JP) 2011-11-30 EP disclosed
WO-2011037833-A2 NOVEL N-BENZYLAMIDE SUBSTITUTED DERIVATIVES OF 2-(ACYLAMIDO)ACETIC ACID AND 2-(ACYLAMIDO)PROPIONIC ACIDS: POTENT NEUROLOGICAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-03-31 WO disclosed
EP-1026163-B1 PROCESS FOR PRODUCING SUBSTITUTED ALKYLAMINES OR SALTS THEREOF IHARA CHEMICAL IND CO (JP) 2006-03-22 EP disclosed
EP-1440970-A1 Process for producing substituted alkylamines or salts thereof IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2004-07-28 EP disclosed
US-6197969-B1 REACTING METAL SALT OF 2-AMINOTHIOPHENOL WITH AN AMINO ACID-N-CARBOXYLIC ANHYDRIDE; CYCLIZATION IN ACID IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2001-03-06 US disclosed
EP-1026163-A1 PROCESS FOR PRODUCING SUBSTITUTED ALKYLAMINES OR SALTS THEREOF IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2000-08-09 EP disclosed