SCHEMBL9064982

SCHEMBL9064982

Nc1ccc(C(=O)C[C@H](N)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.60
KDM4E B2RXH2 2/20 0.50
HIF1A Q16665 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.46
GRM8 O00222 1/20 0.43
GRM7 Q14831 1/20 0.43
GRM4 Q14833 1/20 0.43
SLC1A5 Q15758 1/20 0.42
MAPT P10636 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
POLB P06746 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
SLC7A5 Q01650 1/20 0.41
TPH1 P17752 1/20 0.40
SLC1A3 P43003 1/20 0.40

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
Hydrochloric Acid SCHEMBL6480182 0.98 KMO (0.61) KMOKDM4EHIF1ATDP1TSHR
SCHEMBL5281538 0.85 KMO (0.60) KMOKDM4EHIF1ATDP1TSHR
SCHEMBL2860324 0.84 TSHR (0.64) KMOKDM4EHIF1ATDP1TSHR
SCHEMBL2791083 0.84 TSHR (0.64) KMOKDM4EHIF1ATDP1TSHR
SCHEMBL7799557 0.84 TSHR (0.64) KMOKDM4EHIF1ATDP1TSHR
SCHEMBL7801999 0.83 KMO (0.68) KMOMAPTPOLB
SCHEMBL7791510 0.83 KMO (0.68) KMOMAPTPOLB
SCHEMBL7797477 0.83 KMO (0.58) KMOKDM4EHIF1ATDP1TSHR
SCHEMBL7797479 0.83 KMO (0.58) KMOKDM4EHIF1ATDP1TSHR
SCHEMBL31553575 0.83 KMO (0.58) KMOMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516936-A TREATMENT OF NEUROLOGICAL DISORDERS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1996-05-14 US disclosed
US-5495044-A Inhibitors of kynureninase UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1996-02-27 US disclosed
US-5442104-A Neurological disorders UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1995-08-15 US disclosed
WO-1995011878-A1 INHIBITORS OF KYNURENINASE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1995-05-04 WO disclosed
US-5254725-A Inhibitors of kynureninase UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1993-10-19 US disclosed