SCHEMBL7440229

SCHEMBL7440229

NC(NC=O)C(OCc1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 13/20 0.65
SLC1A2 P43004 12/20 0.65
SLC1A3 P43003 10/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
EPHX1 P07099 1/20 0.44
TAAR1 Q96RJ0 1/20 0.41
TSHR P16473 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
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL7518962 0.82 SLC1A1 (0.56) SLC1A1SLC1A2SLC1A3MEN1KMT2A
SCHEMBL418322 0.80 SLC1A3 (0.76) SLC1A1SLC1A2SLC1A3MEN1KMT2A
SCHEMBL1953602 0.80 SLC1A3 (0.76) SLC1A1SLC1A2SLC1A3MEN1KMT2A
SCHEMBL852209 0.80 SLC1A3 (0.76) SLC1A1SLC1A2SLC1A3MEN1KMT2A
SCHEMBL2269230 0.80 SLC1A1 (0.53) SLC1A1SLC1A2SLC1A3MEN1KMT2A
SCHEMBL7106220 0.79 SLC1A2 (1.00) SLC1A1SLC1A2SLC1A3MEN1KMT2A
SCHEMBL2819522 0.79 SLC1A2 (1.00) SLC1A1SLC1A2SLC1A3MEN1KMT2A
SCHEMBL7106222 0.79 SLC1A2 (1.00) SLC1A1SLC1A2SLC1A3MEN1KMT2A
SCHEMBL2819524 0.79 SLC1A2 (1.00) SLC1A1SLC1A2SLC1A3MEN1KMT2A
Water SCHEMBL30419716 0.78 SLC1A3 (0.73) SLC1A1SLC1A2SLC1A3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6034238-A ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENT HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 2000-03-07 US disclosed