SCHEMBL31445677

SCHEMBL31445677

CCC(NC(=O)C1CCOCC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CTSL P07711 3/20 0.41
CTSS P25774 3/20 0.41
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CAPN1 P07384 1/20 0.36
MAPT P10636 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
ITGAV P06756 1/20 0.35
ITGB6 P18564 1/20 0.35
USP30 Q70CQ3 1/20 0.35

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
SCHEMBL1953634 0.88 LMNA (0.50) LMNATDP1GAATP53ALDH1A1
SCHEMBL1953631 0.88 LMNA (0.50) LMNATDP1GAATP53ALDH1A1
SCHEMBL5730708 0.84 LMNA (0.45) SMN1; SMN2LMNATDP1GAA
SCHEMBL6502285 0.83 PADI1 (0.45) SMN1; SMN2LMNATDP1GAA
SCHEMBL18714404 0.79 SMN1; SMN2 (0.65) SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL31447108 0.79 LMNA (0.41) SMN1; SMN2LMNATDP1CTSSGAA
SCHEMBL31444964 0.79 LMNA (0.41) SMN1; SMN2LMNATDP1CTSSGAA
SCHEMBL31445985 0.78 LMNA (0.43) SMN1; SMN2LMNATDP1CTSSGAA
SCHEMBL31445968 0.78 TNKS2 (0.36) SMN1; SMN2HDAC1HDAC2
SCHEMBL12448285 0.74 SMN1; SMN2 (0.51) SMN1; SMN2LMNACTSLCTSSGAA

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-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed