SCHEMBL29026311

SCHEMBL29026311

CCc1nccc(C(=O)O)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.46
GABRD O14764 3/20 0.46
GABRA1 P14867 3/20 0.46
GABRB1 P18505 3/20 0.46
GABRG2 P18507 3/20 0.46
GABRB3 P28472 3/20 0.46
GABRA5 P31644 3/20 0.46
GABRA3 P34903 3/20 0.46
GABRA2 P47869 3/20 0.46
GABRB2 P47870 3/20 0.46
GABRA4 P48169 3/20 0.46
GABRE P78334 3/20 0.46
GABRA6 Q16445 3/20 0.46
GABRG1 Q8N1C3 3/20 0.46
GABRG3 Q99928 3/20 0.46
GABRQ Q9UN88 3/20 0.46
KDM4E B2RXH2 6/20 0.42
ASPH Q12797 2/20 0.42
KDM8 Q8N371 2/20 0.42
ALDH1A1 P00352 2/20 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
SCHEMBL19857489 0.81 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15527710 0.81 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15527764 0.80 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17145112 0.80 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL5779630 0.79 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
Alcohol SCHEMBL28974254 0.76 KDM4E (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL123202 0.76 KDM4E (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2221901 0.75 KDM4E (0.48) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL17746080 0.74 KDM4E (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6924212 0.74 ALDH1A1 (0.39) GABRA1GABRB2KDM4EALDH1A1L3MBTL1

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
CN-116348450-A Compounds, compositions and methods for histone lysine demethylase inhibition 菲布罗根有限公司 2023-06-27 CN disclosed