SCHEMBL5308571

SCHEMBL5308571

CC(C)(C)c1ccc(Cn2c(=O)oc(=O)c3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.50
METAP2 P50579 1/20 0.50
IDO1 P14902 1/20 0.48
MIF P14174 3/20 0.48
P2RX4 Q99571 3/20 0.47
TP53 P04637 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
PARP1 P09874 1/20 0.43
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 1/20 0.43
DNM1 Q05193 1/20 0.43
CD74 P04233 1/20 0.42

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
SCHEMBL11996086 0.85 ALDH1A1 (0.69) MEN1KMT2AALDH1A1IDO1MIF
SCHEMBL1522607 0.84 MIF (0.66) MEN1KMT2AALDH1A1IDO1MIF
SCHEMBL9047870 0.83 IDO1 (0.68) MEN1KMT2AALDH1A1IDO1MIF
SCHEMBL368418 0.82 MIF (0.55) MEN1KMT2AALDH1A1IDO1MIF
SCHEMBL5308662 0.82 NPC1 (0.55) MEN1KMT2AALDH1A1IDO1MIF
SCHEMBL2860677 0.81 P2RX4 (0.68) MEN1KMT2AALDH1A1IDO1MIF
SCHEMBL30616071 0.81 CYP19A1 (0.63) MEN1KMT2AMETAP2P2RX4TP53
SCHEMBL22166644 0.81 CYP19A1 (0.63) MEN1KMT2AMETAP2P2RX4TP53
SCHEMBL1522968 0.80 PTGDR2 (0.45) MEN1KMT2AALDH1A1METAP2TP53
SCHEMBL1716066 0.79 MIF (0.51) MEN1KMT2AALDH1A1IDO1MIF

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-2007038571-A2 PROLYL HYDROXYLASE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 WO disclosed