SCHEMBL10059293

SCHEMBL10059293

Cc1cc(C(=O)O)c(C)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 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
SCHEMBL12942090 0.93 GABRP (0.34) KDM4EGAAHPGDHSD17B10GABRP
SCHEMBL10059440 0.86 RXRA (0.35) KDM4EGAAHPGDHSD17B10ABCC1
SCHEMBL17239587 0.83 TSHR (0.35) NOTUMRXRAALDH1A1MYC
SCHEMBL17873998 0.83 RXRA (0.35) KDM4ENOTUMLIPELIPGP4HB
SCHEMBL12374406 0.82 MAPK1 (0.39) LIPGLPLF11
SCHEMBL18107884 0.80 LIPG (0.36) KDM4EGPR35LIPGP4HBLPL
SCHEMBL397041 0.79 TSHR (0.41) GAAHSD17B10P4HBRARARARB
SCHEMBL320419 0.79 TSHR (0.41) KDM4EGAAHSD17B10P4HBRARA
SCHEMBL31220241 0.79 TSHR (0.41) KDM4EGAAHSD17B10P4HBRARA
SCHEMBL20519911 0.79 NNMT (0.37) LIPEF2F11PRSS1PRSS2

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
WO-2012086735-A1 CONDENSED HETEROCYCLIC COMPOUND 大正製薬株式会社 (JP) 2012-06-28 WO disclosed