SCHEMBL9830770

SCHEMBL9830770

Cc1ccccc1C(=O)C(C(=O)O)C(O)CN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 1/20 0.40
HPGD P15428 3/20 0.39
MYC P01106 1/20 0.39
KMT2A Q03164 1/20 0.39
FFAR1 O14842 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL4552092 0.80 ERCC5 (0.46) ERCC5FEN1SLC6A2SLC6A4SLC6A3
SCHEMBL11718733 0.78 HPGD (0.44) ERCC5FEN1SLC6A2SLC6A4SLC6A3
SCHEMBL16714061 0.73 HPGD (0.46) ERCC5FEN1SLC6A2SLC6A4SLC6A3
SCHEMBL9830781 0.72 ERCC5 (0.41) ERCC5FEN1SLC6A2SLC6A4SLC6A3
SCHEMBL1878466 0.71 SLC6A2 (0.48) ERCC5FEN1SLC6A2SLC6A4SLC6A3
SCHEMBL819137 0.71 HPGD (0.47) ERCC5FEN1SLC6A2SLC6A4SLC6A3
SCHEMBL1685076 0.70 HPGD (0.46) ERCC5FEN1SLC6A2SLC6A4SLC6A3
SCHEMBL28570713 0.70 HPGD (0.46) ERCC5FEN1SLC6A2SLC6A4SLC6A3
SCHEMBL2233660 0.69 HPGD (0.48) ERCC5FEN1SLC6A2SLC6A4SLC6A3
SCHEMBL387303 0.69 LMNA (0.57) ERCC5FEN1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed