SCHEMBL8777370

SCHEMBL8777370

N[C@H](C(=O)O)C(O)OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 14/20 0.70
SLC1A2 P43004 13/20 0.70
SLC1A3 P43003 11/20 0.70
MEN1 O00255 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
KMT2A Q03164 1/20 0.70
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
SLC15A1 P46059 1/20 0.43
SRR Q9GZT4 1/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL8777361 1.00 SLC1A1 (0.70) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL7106222 0.82 SLC1A2 (1.00) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL7106220 0.82 SLC1A2 (1.00) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL2819524 0.82 SLC1A2 (1.00) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL2819522 0.82 SLC1A2 (1.00) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL9725774 0.81 SLC1A1 (0.68) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL18925992 0.81 SLC1A1 (0.68) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL288385 0.81 SLC1A1 (0.68) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL8464720 0.81 SLC1A1 (0.68) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL288386 0.81 SLC1A1 (0.68) SLC1A1SLC1A2SLC1A3MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0810990-A1 SUBSTITUTED DTPA MONOAMIDES OF CENTRAL CARBOXYLIC ACIDS AND METAL COMPLEXES THEREOF, PHARMACEUTICALS CONTAINING THESE COMPLEXES, DIAGNOSTIC AND THERAPEUTIC USES THEREOF AND METHODS FOR PREPARING THE COMPLEXES AND PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-10 EP disclosed
US-5679852-A Process for the production of DTPA-monoamides of the central carboxylic acid and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
US-5676923-A SOLUBLE, STABLE, ORGAN-SPECIFIC NUCLEAR MAGNETIC RESONANCE CONTRAST AGENT SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
US-5676926-A Process for the production of DTPA-tetraesters of terminal carboxylic acids SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
WO-1996026182-A1 SUBSTITUTED DTPA MONOAMIDES OF CENTRAL CARBOXYLIC ACIDS AND METAL COMPLEXES THEREOF, PHARMACEUTICALS CONTAINING THESE COMPLEXES, DIAGNOSTIC AND THERAPEUTIC USES THEREOF AND METHODS FOR PREPARING THE COMPLEXES AND PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1996-08-29 WO disclosed
US-5514810-A Process for the production of DTPA-tetraesters of terminal carboxylic acids SCHERING AKTIENGESELLSCHAFT (DE) 1996-05-07 US disclosed