SCHEMBL14645012

SCHEMBL14645012

Cc1c(C)c(O)c2c(oc3c(C(=O)CC(C)C)c(O)c(C)c(O)c32)c1C(=O)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
FFAR1 O14842 2/20 0.42
HIF1A Q16665 7/20 0.41
EPAS1 Q99814 7/20 0.41
BCL2L1 Q07817 1/20 0.33
BCL2 P10415 1/20 0.31
MCL1 Q07820 1/20 0.31
PLA2G2A P14555 1/20 0.31
PLA2G5 P39877 1/20 0.31

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
Rhodomyrtoxin SCHEMBL12210330 0.95 FBP1 (0.49) FBP1MEN1LMNATP53MAPT
SCHEMBL504402 0.90 MEN1 (0.55) FBP1MEN1LMNATP53MAPT
SCHEMBL9752800 0.76 FFAR1 (0.62) FBP1FFAR1HIF1AEPAS1BCL2L1
Grandinol SCHEMBL31348060 0.67 FFAR1 (0.47) FBP1MAPTFFAR1HIF1AEPAS1
SCHEMBL29287621 0.66 FFAR1 (0.79) FBP1FFAR1BCL2L1PLA2G2APLA2G5
SCHEMBL505148 0.63 FBP1 (1.00) FBP1FFAR1HIF1AEPAS1BCL2L1
Rhodomyrtoxin B SCHEMBL12827333 0.62 MAPT (1.00) FBP1MEN1LMNATP53MAPT
SCHEMBL29664009 0.61 CYP3A4 (0.61) MEN1MAPTKMT2AFFAR1
SCHEMBL7887580 0.61 FFAR1 (0.85) FBP1FFAR1BCL2L1PLA2G2APLA2G5
SCHEMBL11422414 0.61 FFAR1 (0.43) FFAR1

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-8357701-B2 Galactokinase inhibitors UNIVERSITY OF MIAMI (US) 2013-01-22 US disclosed