SCHEMBL23975520

SCHEMBL23975520

CC(C)(C)OC(=O)N1CCCCC1C(=O)ON1C(=O)c2ccccc2C1O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.44
▸ HSD11B1 P28845 2/20 0.43
▸ UCHL1 P09936 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ KLK7 P49862 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ FKBP1A P62942 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL21848552 0.84 L3MBTL1 (0.40) EPHX2HSD11B1UCHL1MEN1KMT2A
SCHEMBL31511192 0.83 EPHX2 (0.48) EPHX2HSD11B1UCHL1MEN1KMT2A
SCHEMBL23975515 0.83 EPHX2 (0.48) EPHX2HSD11B1UCHL1MEN1KMT2A
SCHEMBL28459867 0.80 EPHX2 (0.51) EPHX2HSD11B1UCHL1MEN1KMT2A
SCHEMBL31510905 0.80 EPHX2 (0.51) EPHX2HSD11B1UCHL1MEN1KMT2A
SCHEMBL30537463 0.80 EPHX2 (0.51) EPHX2HSD11B1UCHL1MEN1KMT2A
SCHEMBL21848431 0.76 UCHL1 (0.53) EPHX2UCHL1MEN1KMT2AKLK7
SCHEMBL22715472 0.75 EPHX2 (0.43) EPHX2UCHL1MEN1KMT2AKLK7
SCHEMBL23975412 0.73 UCHL1 (0.44) EPHX2UCHL1MEN1KMT2AKLK7
SCHEMBL22892446 0.73 MEN1 (0.50) EPHX2UCHL1MEN1KMT2AKLK7

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-2021220178-A1 IAP ANTAGONISTS AND THEIR THERAPEUTIC APPLICATIONS COMINNEX ZRT. (HU) 2021-11-04 — — WO disclosed
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