SCHEMBL8015382

SCHEMBL8015382

N[C@@H](Cc1c[nH]cn1)C(=O)Oc1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
PYGL P06737 10/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
DRD3 P35462 1/20 0.33
GRM4 Q14833 1/20 0.33
PYGM P11217 9/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 2/20 0.32
SCN9A Q15858 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL7782151 0.83 SLC1A3 (0.37) ALDH1A1MEN1KMT2ASCN9APKM
SCHEMBL7782152 0.83 SLC1A3 (0.37) ALDH1A1MEN1KMT2ASCN9APKM
SCHEMBL1171906 0.80 ITGB3 (0.46) ALDH1A1MEN1KMT2AHSD17B10TDP1
Histidine SCHEMBL8315963 0.80 ITGB3 (0.46) ALDH1A1MEN1KMT2AHSD17B10TDP1
Histidine SCHEMBL8316688 0.80 ITGB3 (0.46) ALDH1A1MEN1KMT2AHSD17B10TDP1
SCHEMBL28129418 0.77 BCL9 (0.40) ALDH1A1KMT2APKM
SCHEMBL430439 0.77 CYP3A4 (0.31)
Phthalic Acid SCHEMBL28090264 0.76 SLC7A5 (0.45) ALDH1A1MEN1KMT2AKDM4EPKM
SCHEMBL8006082 0.76 APEX1 (0.33) ALDH1A1MEN1CYP2D6CYP2C9CYP2C19
SCHEMBL27515997 0.76 KMT2A (0.46) ALDH1A1MEN1KMT2AHSD17B10TDP1

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
EP-0716113-B1 Polyamic acid having three-dimensional network molecular structure, polyimide obtained therefrom and process for the preparation thereof TOHO RAYON KK (JP) 2000-01-19 EP claimed