SCHEMBL21895799

SCHEMBL21895799

CCSC(=O)CC1C(=O)OCN1C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.63
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
HTR2C P28335 1/20 0.40
F2 P00734 2/20 0.40
ELANE P08246 2/20 0.40
CTSG P08311 1/20 0.40
PREP P48147 1/20 0.40

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
SCHEMBL30278737 1.00 USP2 (0.63) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL345968 0.85 USP2 (0.69) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL9006395 0.85 USP2 (0.65) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL5172119 0.85 USP2 (0.72) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL346937 0.85 USP2 (0.72) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL9494373 0.85 USP2 (0.72) USP2PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL5171901 0.84 USP2 (0.71) USP2PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL5171904 0.84 USP2 (0.71) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL8196001 0.83 USP2 (0.73) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL346978 0.83 USP2 (0.69) USP2PSEN1PSEN2APH1BNCSTN

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-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