SCHEMBL8210229

SCHEMBL8210229

CC(C)C[C@H](N)C(=O)OC(=O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
ANPEP P15144 1/20 0.49
RNPEP Q9H4A4 1/20 0.49
DNPEP Q9ULA0 1/20 0.49
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PAM P19021 1/20 0.46
PSMB8 P28062 1/20 0.43
PSMB5 P28074 1/20 0.43
LARS1 Q9P2J5 1/20 0.43
CYP19A1 P11511 1/20 0.43
LTA4H P09960 1/20 0.43
SLC7A5 Q01650 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41

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
SCHEMBL27802061 0.84 ANPEP (0.52) ANPEPRNPEPDNPEPLARS1LTA4H
SCHEMBL4414630 0.84 TSHR (0.59) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL208390 0.83 ANPEP (0.57) ANPEPRNPEPDNPEPLTA4HSLC7A5
SCHEMBL8740769 0.83 ALDH1A1 (0.51) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL15532005 0.83 SLC7A5 (0.58) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL7460011 0.81 ANPEP (0.48) ANPEPRNPEPDNPEPALDH1A1
SCHEMBL6864986 0.81 ANPEP (0.48) ANPEPRNPEPDNPEPALDH1A1
SCHEMBL16439989 0.80 TSHR (0.68) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL8644205 0.80 TSHR (0.54) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL17458666 0.80 ALDH1A1 (0.49) TSHRALDH1A1MAPK1L3MBTL1PAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6033823-A Mutated penicillin G acylase genes DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V., (NL) 2000-03-07 US disclosed
EP-0775210-B1 MUTATED PENICILLIN G ACYLASE GENES DSM NV (NL) 2000-02-02 EP disclosed
US-5935831-A MUTATIONS IN AMINO ACID SEQUENCE OF ACYLASE RESULT IN ALTERATED SUBSTRATE SPECIFICITY; FOR ACYLATION OR DEACYLATION OF CEPHALOSPORIN AND PENICILLIN ANTIBIOTICS GIST-BROCADES, N.V. (NL) 1999-08-10 US disclosed
US-5891703-A Mutated penicillin G acylase genes GIST-HROCADES (NL) 1999-04-06 US disclosed
EP-0453048-B1 Mutated beta-lactam acylase genes GIST BROCADES NV (NL) 1998-06-17 EP disclosed
US-5695978-A CULTURE PRODUCT GIST-BROCADES, N.V. (NL) 1997-12-09 US disclosed
EP-0775210-A1 MUTATED PENICILLIN G ACYLASE GENES GIST-BROCADES B.V. (NL) 1997-05-28 EP disclosed
WO-1996005318-A1 MUTATED PENICILLIN G ACYLASE GENES GIST-BROCADES B.V. (NL) 1996-02-22 WO disclosed
US-5457032-A Having altered substrate specificity GIST-BROCADES NV (NL) 1995-10-10 US disclosed
EP-0453047-B1 Penicillin G acylase, a gene encoding the same and a method for the production of this enzyme GIST BROCADES NV (NL) 1995-07-05 EP disclosed
US-5168048-A Genetic engineering of Alcaligenes GIST-BROCADES NV (NL) 1992-12-01 US disclosed
WO-1991016435-A1 MUTATED BETA-LACTAM ACYLASE GENES GIST-BROCADES N.V. (NL) 1991-10-31 WO disclosed
EP-0453048-A1 Mutated beta-lactam acylase genes GIST-BROCADES N.V. (NL) 1991-10-23 EP disclosed
EP-0453047-A1 Penicillin G acylase, a gene encoding the same and a method for the production of this enzyme GIST-BROCADES N.V. (NL) 1991-10-23 EP disclosed