SCHEMBL8760503

SCHEMBL8760503

CSCC[C@H](NC(C)(C)C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
RNPEP Q9H4A4 1/20 0.44
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
USP2 O75604 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.40
GAA P10253 1/20 0.40
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
FOLH1 Q04609 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8760496 1.00 LMNA (0.44) LMNARNPEPCTSSCTSKUSP2
SCHEMBL2106791 0.85 RNPEP (0.47) LMNARNPEPCTSSCTSKUSP2
SCHEMBL14383421 0.85 RNPEP (0.47) LMNARNPEPCTSSCTSKUSP2
SCHEMBL2106793 0.85 RNPEP (0.47) LMNARNPEPCTSSCTSKUSP2
Hydrochloric Acid SCHEMBL8602262 0.84 RNPEP (0.46) LMNARNPEPCTSSCTSKUSP2
Hydrochloric Acid SCHEMBL8602261 0.84 RNPEP (0.46) LMNARNPEPCTSSCTSKUSP2
SCHEMBL4430146 0.80 RNPEP (0.46) LMNARNPEPUSP2TSHRALDH1A1
SCHEMBL4430147 0.80 RNPEP (0.46) LMNARNPEPUSP2TSHRALDH1A1
Acrylic Acid SCHEMBL1878744 0.77 ALDH1A1 (0.41) LMNARNPEPCTSSCTSKUSP2
SCHEMBL29456085 0.77 RNPEP (0.54) LMNARNPEPUSP2ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5672745-A HYDROLYSIS OF METHONINE NITRILE TO METHONINE OR SALTS IN PRESENCE OF KETONE, FOLLOWED BY SAPONIFICATION WITH BASE TO FORM CRUDE METHIONINE PDRODUCT MIXTURE, AND SIMULTANEOUS DRAWING OF AMMONIA, KETONE AND WATER DEGUSSA AKTIENGESELLSCHAFT (DE) 1997-09-30 US disclosed
EP-0665832-B1 METHOD FOR THE CONTINUOUS PREPARATION OF METHIONINE OR METHIONINE DERIVATIVES DEGUSSA (DE) 1997-04-16 EP disclosed