SCHEMBL21153141

SCHEMBL21153141

CC(C)(C)CC(C)(C)CC(=O)NN

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.39
KDM4E B2RXH2 3/20 0.34
KDM5C P41229 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
AOC3 Q16853 1/20 0.32
AOC2 O75106 1/20 0.30

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
SCHEMBL17304513 0.91 CTSD (0.42) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL2827132 0.80
SCHEMBL17304512 0.79 CTSD (0.39) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL12335996 0.79 CTSD (0.46) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL20224633 0.79 MCL1 (0.34) LMNA
SCHEMBL26893756 0.77 CTSD (0.40) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL24419413 0.74 KMT2A (0.38) ALDH1A1LMNA
SCHEMBL12308797 0.74 CTSD (0.37) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL23265399 0.73
SCHEMBL7083891 0.73 KDM4E (0.36) KDM4EALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3735404-B1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF SEAL ROCK THERAPEUTICS INC (US) 2023-11-29 EP disclosed
WO-2019136025-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. (US) 2019-07-11 WO disclosed