SCHEMBL21765708

SCHEMBL21765708

CC(C)CC(=O)N(C)N(C)C(=O)CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA2 P00918 2/20 0.43
CYP2C19 P33261 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA4 P43681 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
CHRNA3 P32297 1/20 0.32

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
SCHEMBL801270 0.82
SCHEMBL10106488 0.78 ALDH1A1 (0.43) ALDH1A1TDP1CA2CYP2C19CHRNB2
SCHEMBL5367268 0.76 ALDH1A1 (0.42) ALDH1A1TDP1CA2CYP2C19CHRNB2
SCHEMBL12734485 0.76 ALDH1A1 (0.42) ALDH1A1TDP1CA2CYP2C19MMP1
SCHEMBL27522034 0.76 ALDH1A1 (0.42) ALDH1A1TDP1CA2CYP2C19CHRNB2
SCHEMBL16197744 0.75 ALDH1A1 (0.32) ALDH1A1TDP1CA2
SCHEMBL27269038 0.74
SCHEMBL10106489 0.74 ALDH1A1 (0.46) ALDH1A1TDP1CA2CYP2C19SMN1; SMN2
SCHEMBL19432396 0.74 ALDH1A1 (0.36) ALDH1A1TDP1CA2CYP2C19
SCHEMBL17919862 0.74 TDP1 (0.40) ALDH1A1TDP1CA2CYP2C19CHRNB2

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
WO-2022261257-A1 STAPLED PEPTIDES AND METHODS THEREOF FOG PHARMACEUTICALS, INC. (US) 2022-12-15 WO disclosed
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed