SCHEMBL8938795

SCHEMBL8938795

Cc1cc(C(=O)O)c(CCC(C)C)c(C)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35

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
SCHEMBL8462262 0.89 KDM4E (0.45) KDM4EKMT2AMEN1TDP1HSD17B10
SCHEMBL6046232 0.88 KDM4E (0.40) KDM4EKMT2AMEN1TDP1HSD17B10
SCHEMBL7744473 0.80 RARB (0.46) KDM4EKMT2AMEN1TDP1GABRP
SCHEMBL2536655 0.79 KDM4E (0.50) KDM4EKMT2AMEN1TDP1HSD17B10
SCHEMBL30061109 0.79 RARB (0.48) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL578085 0.79 RARB (0.48) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL27490519 0.77 KDM4E (0.43) KDM4EHSD17B10IKBKETBK1BRS3
SCHEMBL27447625 0.75 GRIN2D (0.39) KMT2AMEN1TDP1GRM1BRS3
SCHEMBL27385302 0.74 THRA (0.32) KDM4EHSD17B10GAAHPGDGRM1
SCHEMBL28679887 0.73 KDM4E (0.64) KDM4EKMT2AMEN1TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684906-A4 LIQUID CURABLE RESIN COMPOSITION. DSM NV (NL) 1996-09-04 EP disclosed
EP-0684906-A1 LIQUID CURABLE RESIN COMPOSITION DSM N.V. (NL) 1995-12-06 EP disclosed
WO-1994019185-A1 LIQUID CURABLE RESIN COMPOSITION DSM N.V. (NL) 1994-09-01 WO disclosed