SCHEMBL21896383

SCHEMBL21896383

CC(C)(O)COCCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
ALDH1A1 P00352 2/20 0.35
LMNA P02545 4/20 0.35
EGLN1 Q9GZT9 2/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
FFAR3 O14843 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SLC15A2 Q16348 1/20 0.33
TSHR P16473 4/20 0.32
NAALAD2 Q9Y3Q0 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
PLA2G4B P0C869 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
SCHEMBL8932043 0.84 ALDH1A1 (0.37) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL439265 0.84 ALDH1A1 (0.37) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL9883735 0.84 ALDH1A1 (0.37) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL14343340 0.81 LMNA (0.38) ALDH1A1LMNAEGLN1ALKBH5SUCNR1
SCHEMBL23935773 0.80 ALDH1A1 (0.38) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL12227935 0.80 ALDH1A1 (0.36) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL1781906 0.80 BLM (0.34) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL5712795 0.78 L3MBTL1 (0.36) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL20261471 0.78 ALDH1A1 (0.38) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL23935415 0.78 ALDH1A1 (0.33) HMGCRCHRM1TBXA2RADRA1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114787359-A Method for producing peptide containing unnatural amino acid 中外制药株式会社 2022-07-22 CN disclosed
EP-3896056-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-10-20 EP disclosed
EP-3636807-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2020-04-15 EP disclosed