SCHEMBL6322882

SCHEMBL6322882

CC(C)Oc1cccc(C(=O)c2cccc(OC(C)C)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
GAA P10253 1/20 0.61
HTT P42858 1/20 0.61
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
HSD17B1 P14061 1/20 0.54
HSD17B2 P37059 1/20 0.54
STS P08842 3/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
KAT6A Q92794 2/20 0.52
ALOX12 P18054 1/20 0.52
KDM4E B2RXH2 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HSD17B10 Q99714 1/20 0.51
CES2 O00748 1/20 0.50

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
SCHEMBL14446354 0.94 ATM (0.59) KMT2AMEN1GAAHTTRXRA
SCHEMBL15281240 0.87 KMT2A (0.59) KMT2AMEN1GAAHTTRXRA
SCHEMBL11798200 0.86 KMT2A (0.64) KMT2AMEN1GAAHTTRXRA
SCHEMBL592781 0.86 RXRA (0.68) KMT2AMEN1GAAHTTRXRA
SCHEMBL30184304 0.86 RXRA (0.68) KMT2AMEN1GAAHTTRXRA
SCHEMBL104194 0.86 KMT2A (0.59) KMT2AMEN1GAAHTTRXRA
SCHEMBL1167621 0.85 KMT2A (0.58) KMT2AMEN1GAAHTTRXRA
SCHEMBL2466047 0.85 GABRA1 (0.54) KMT2AMEN1GAAHTTRXRA
SCHEMBL12667381 0.85 KMT2A (0.58) KMT2AMEN1GAAHTTRXRA
SCHEMBL12643325 0.85 KMT2A (0.58) KMT2AMEN1GAAHTTRXRA

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
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed