SCHEMBL31721990

SCHEMBL31721990

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCCN1C(=O)C=CC1=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.51
▸ CAPN1 P07384 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ ALB P02768 2/20 0.42
▸ PTGS1 P23219 4/20 0.41
▸ PTGS2 P35354 4/20 0.41
▸ SIRT5 Q9NXA8 2/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ NOD1 Q9Y239 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ GLP1R P43220 3/20 0.39
▸ RRM1 P23921 1/20 0.39

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
SCHEMBL24202346 0.91 GLP1R (0.51) AKT1CAPN1ALDH1A1TSHRHDAC1
SCHEMBL29333170 0.89 AKT1 (0.55) AKT1ALDH1A1TSHRHDAC1PTGS1
SCHEMBL22044586 0.88 AKT1 (0.48) AKT1ALDH1A1TSHRHDAC1HDAC8
SCHEMBL12946729 0.86 NOD1 (0.49) ALBPTGS1PTGS2NOD1GLP1R
SCHEMBL13647129 0.85 AKT1 (0.51) AKT1CAPN1ALDH1A1TSHRHDAC1
SCHEMBL20122339 0.84 MEN1 (0.55) CAPN1ALDH1A1TSHRHDAC1HDAC8
SCHEMBL440126 0.84 AKT1 (0.44) AKT1CAPN1ALDH1A1TSHRALB
SCHEMBL440125 0.84 AKT1 (0.44) AKT1CAPN1ALDH1A1TSHRALB
SCHEMBL22807658 0.84 GLP1R (0.43) AKT1CAPN1HDAC1HDAC8HDAC3
SCHEMBL15096516 0.83 POLB (0.45) AKT1HDAC1HDAC8HDAC3HDAC6

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-2025229086-A1 ADHESIVE COSMETIC COMPOUNDS AND USES THEREOF SKINOSIVE (FR) 2025-11-06 — — WO disclosed
Send feedback