SCHEMBL9575679

SCHEMBL9575679

CCC=CC[C@H](C(=O)O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.47
GRIK2 Q13002 2/20 0.47
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.39
FPR2 P25090 1/20 0.38
CYP19A1 P11511 4/20 0.36
PPARG P37231 3/20 0.36
OXER1 Q8TDS5 3/20 0.36
RXRA P19793 2/20 0.36
FFAR1 O14842 2/20 0.36
F7 P08709 3/20 0.34
F3 P13726 3/20 0.34
PPARA Q07869 3/20 0.34
PTGS1 P23219 2/20 0.34
KMT2A Q03164 2/20 0.34
PPARD Q03181 2/20 0.34
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL9858552 1.00 GRIK1 (0.47) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL9575678 1.00 GRIK1 (0.47) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL2031190 0.91 SLC1A3 (0.48) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL2031192 0.91 SLC1A3 (0.48) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL8096822 0.91 SLC1A3 (0.48) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL2035310 0.91 SLC1A3 (0.48) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL2035309 0.91 SLC1A3 (0.48) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL8101229 0.91 SLC1A3 (0.48) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL6871010 0.91 SLC1A3 (0.48) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL4736244 0.85 GRIK1 (0.46) GRIK1GRIK2SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0258183-B1 PROCESS FOR THE PREPARATION OF 5-AMINO-4-HYDROXYVALERIC-ACID DERIVATIVES CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed
US-5010189-A Processes for the preparation of 5-amino-4-hydroxy-valeric acid derivatives CIBA-GEIGY CORPORATION (US) 1991-04-23 US disclosed
US-4898977-A Processes for the preparation of 5-amino-4-hydroxyvaleric acid derivatives CIBA-GEIGY CORPORATION (US) 1990-02-06 US disclosed
EP-0258183-A2 Process for the preparation of 5-amino-4-hydroxyvaleric-acid derivatives CIBA-GEIGY AG (CH) 1988-03-02 EP disclosed