SCHEMBL22876027

SCHEMBL22876027

CC[C@@H](Cc1c[nH]c2c(C(C)C)cccc12)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ HAT1 O14929 1/20 0.41
▸ EP300 Q09472 1/20 0.41
▸ SOS2 Q07890 1/20 0.40
▸ ADRB3 P13945 6/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MIF P14174 1/20 0.38
▸ ADRB1 P08588 3/20 0.37

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
SCHEMBL23659225 0.89 MAPT (0.41) MAPTKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL23656504 0.86 ALDH1A1 (0.48) MAPTKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL22876029 0.86 KDM4E (0.45) MAPTKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL22875744 0.84 MTNR1A (0.43) MAPTKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL24769839 0.84 SOS2 (0.47) MAPTKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL23666194 0.81 SCN9A (0.50) MAPTKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL22875748 0.81 MAPT (0.43) MAPTKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL19007004 0.77 SOS2 (0.46) MAPTKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL21644783 0.77 MAPT (0.59) MAPTMEN1HCRTR1KMT2ATP53
SCHEMBL21644784 0.77 MAPT (0.59) MAPTMEN1HCRTR1KMT2ATP53

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-2021007433-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES PROTAGONIST THERAPEUTICS, INC. (US) 2021-01-14 — — WO disclosed
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