SCHEMBL8198281

SCHEMBL8198281

CC(C)C[C@](N)(C(=O)O)C(=O)C(N)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
GRM2 Q14416 3/20 0.38
GRM3 Q14832 3/20 0.38
GAA P10253 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ALOX5 P09917 1/20 0.36
GLS O94925 2/20 0.35
AOC3 Q16853 1/20 0.35

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
SCHEMBL5941284 0.75 SMN1; SMN2 (0.39) SMN1; SMN2HIF1ACYP1A2CYP2D6GRM2
Hydrochloric Acid SCHEMBL4023667 0.75 LAP3 (0.51) SMN1; SMN2HIF1A
SCHEMBL13305755 0.74 CYP2C19 (0.42) HIF1ACYP1A2CYP2D6ADRA2AADRA2C
SCHEMBL28498977 0.73 KIF11 (0.40) HIF1ACYP1A2CYP2D6GRM2GRM3
SCHEMBL15745582 0.72 MAPT (0.44) HIF1ACYP2D6ADRA2AADRA2CLMNA
SCHEMBL13028672 0.72 MAPT (0.44) HIF1ACYP2D6ADRA2AADRA2CLMNA
SCHEMBL16449781 0.72 MAPT (0.44) HIF1ACYP2D6ADRA2AADRA2CLMNA
SCHEMBL3783637 0.70 GRM2 (0.36) GRM2GRM3
SCHEMBL13351981 0.70 RIPK1 (0.50) GRM2GRM3LMNA
SCHEMBL31059197 0.70 ALDH1A1 (0.53) SMN1; SMN2HIF1ACYP1A2CYP2D6ADRA2A

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 10 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
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
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