SCHEMBL23850101

SCHEMBL23850101

CC(=O)N[C@](CCCCB1OC(C)(C)C(C)(C)O1)(C(=O)NC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.34
RECQL P46063 1/20 0.33
EPHX1 P07099 1/20 0.33
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
FAAH O00519 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPR119 Q8TDV5 2/20 0.31
EPHX2 P34913 2/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
CCR2 P41597 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL23853479 1.00 USP30 (0.34) USP30RECQLEPHX1HPGDKDM4E
SCHEMBL894193 0.95 USP30 (0.37) USP30RECQLEPHX1ALDH1A1
SCHEMBL19055985 0.95 USP30 (0.37) USP30RECQLEPHX1ALDH1A1
SCHEMBL17902808 0.86 USP30 (0.36) USP30RECQLEPHX1HPGDKDM4E
SCHEMBL14715746 0.85
SCHEMBL896227 0.83
Hydrochloric Acid SCHEMBL21064763 0.82
SCHEMBL23853977 0.80 BCHE (0.33) KDM4EALDH1A1
SCHEMBL895367 0.79 ARG1 (0.39) ALDH1A1
SCHEMBL14881391 0.79

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
EP-3883938-A1 INHIBITORS OF ARGINASE Praxis Biotech LLC (US) 2021-09-29 EP disclosed