SCHEMBL23870441

SCHEMBL23870441

CC(=O)NCC(=O)NC1(C(=O)O)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.36
CTSS P25774 3/20 0.36
CTSL P07711 4/20 0.36
CTSK P43235 1/20 0.34
CNR2 P34972 4/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C19 P33261 3/20 0.32
LMNA P02545 1/20 0.31
SHMT1 P34896 1/20 0.31
SHMT2 P34897 1/20 0.31
MME P08473 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8485391 0.80 CNR2 (0.39) CTSBCTSSCTSLCTSKCNR2
SCHEMBL3704763 0.79 FFAR3 (0.39) CNR2ALDH1A1CYP2C19CYP2C9MAPT
SCHEMBL23870439 0.79 ALDH1A1 (0.37) CTSBCTSSCTSLALDH1A1CYP2C19
SCHEMBL1573844 0.77 FFAR3 (0.40) CNR2ALDH1A1CYP2C19MAPT
SCHEMBL23870433 0.77 ALDH1A1 (0.38) CTSBCTSSALDH1A1SHMT1SHMT2
SCHEMBL1839678 0.75 CTSK (0.52) CTSBCTSSCTSLCTSKALDH1A1
SCHEMBL8683974 0.74 CYP2C19 (0.36) CTSBCTSSCTSLCNR2ALDH1A1
SCHEMBL14088075 0.74 CYP1A2 (0.38) CTSBCTSSCTSLCNR2ALDH1A1
SCHEMBL5112211 0.74 CNR2 (0.36) CTSBCTSSCTSLCNR2ALDH1A1
SCHEMBL5101551 0.74 NPSR1 (0.43) CTSBCTSSCTSLCNR2ALDH1A1

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-2021195183-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN EMBRYONIC ECTODERM DEVELOPMENT ACTIVITY AND TREATING DISEASE EXO THERAPEUTICS, INC. (US) 2021-09-30 WO disclosed