SCHEMBL2587990

SCHEMBL2587990

O=CCC(=O)CC1CCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.38
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37
ALOX5 P09917 2/20 0.34
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
EPHX2 P34913 1/20 0.32
LMNA P02545 1/20 0.31
ANPEP P15144 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
SCHEMBL11846823 0.95 EPHX1 (0.42) EPHX1KMT2AHPGDADH1BADH1C
SCHEMBL11839475 0.93 EPHX1 (0.45) EPHX1KMT2AHPGDADH1BADH1C
SCHEMBL1694969 0.90
SCHEMBL11698835 0.83 EPHX1 (0.46) EPHX1KMT2AHPGDADH1BADH1C
SCHEMBL3855877 0.82 KMT2A (0.44) EPHX1KMT2AHPGDADH1BADH1C
SCHEMBL24364734 0.77 EPHX1 (0.46) EPHX1KMT2AHPGDADH1BADH1C
SCHEMBL3116167 0.76 EPHX1 (0.50) EPHX1KMT2AHPGDADH1BADH1C
SCHEMBL7945281 0.74 EPHX1 (0.54) EPHX1KMT2AHPGDADH1BADH1C
SCHEMBL1148328 0.74 EPHX1 (0.54) EPHX1KMT2AHPGDADH1BADH1C
SCHEMBL8393333 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013173441-A2 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-11-21 WO disclosed
EP-2646020-A1 INDOLES GlaxoSmithKline LLC (US) 2013-10-09 EP disclosed
EP-2566327-A1 INDOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
WO-2012075080-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2012-06-07 WO disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed