SCHEMBL9048413

SCHEMBL9048413

Nc1ccc(Cl)cc1C(=O)NCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.54
CCR2 P41597 1/20 0.50
GCK P35557 2/20 0.48
NOS2 P35228 2/20 0.48
RECQL P46063 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
HIF1A Q16665 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
ALDH1A1 P00352 1/20 0.47
EGLN1 Q9GZT9 3/20 0.46
VEGFA P15692 1/20 0.45
FLT1 P17948 1/20 0.45
GPR139 Q6DWJ6 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.44

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
Aminohippuric Acid SCHEMBL9327154 0.83 MAPT (0.64) FADS1CCR2NOS2RECQLKDM4E
SCHEMBL8002583 0.83 ALDH1A1 (0.64) ALDH1A1EGLN1FLT1GPR139CYP1A2
SCHEMBL12245344 0.82 CDK1 (0.63) MAPTEGLN1VEGFAFLT1HPGD
SCHEMBL11689255 0.82 NOS2 (0.63) FADS1CCR2GCKNOS2RECQL
SCHEMBL343657 0.82 MEN1 (0.49) ALDH1A1EGLN1VEGFAFLT1GPR139
SCHEMBL1095186 0.81 ALDH1A1 (0.70) FADS1GCKNOS2RECQLKDM4E
SCHEMBL12900998 0.81 EGLN1 (0.57) RECQLALDH1A1EGLN1VEGFAFLT1
SCHEMBL15630978 0.81 KEAP1 (0.59) FADS1KDM4EMAPTHIF1ASLC22A6
SCHEMBL10705234 0.81 CDK1 (0.57) FADS1GCKNOS2RECQLALDH1A1
SCHEMBL11380224 0.80 POLB (0.64) RECQLKDM4EMAPTHIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0456835-B1 QUINAZOLINE-3-ALKANOIC ACID DERIVATIVE, SALT THEREOF, AND PRODUCTION THEREOF KYORIN SEIYAKU KK (JP) 1996-05-15 EP disclosed
US-5234928-A Inhibit platelet aggregation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US disclosed
EP-0456835-A1 QUINAZOLINE-3-ALKANOIC ACID DERIVATIVE, SALT THEREOF, AND PRODUCTION THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP disclosed