SCHEMBL31445985

SCHEMBL31445985

CCC(NC(=O)C1CCC(F)(F)CC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ITGAV P06756 1/20 0.40
ITGB6 P18564 1/20 0.40
CASP3 P42574 1/20 0.40
USP30 Q70CQ3 1/20 0.39
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38
DGAT1 O75907 1/20 0.37
CCR5 P51681 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL31444964 0.86 LMNA (0.41) LMNATDP1GAATP53CTSS
SCHEMBL31447108 0.86 LMNA (0.41) LMNATDP1GAATP53CTSS
SCHEMBL1953631 0.85 LMNA (0.50) LMNATDP1GAATP53ALDH1A1
SCHEMBL1953634 0.85 LMNA (0.50) LMNATDP1GAATP53ALDH1A1
SCHEMBL31445262 0.82 LMNA (0.37) LMNATDP1GAATP53ALDH1A1
SCHEMBL5730708 0.82 LMNA (0.45) LMNATDP1GAASMN1; SMN2
SCHEMBL6502285 0.80 PADI1 (0.45) LMNATDP1GAASMN1; SMN2
SCHEMBL31446743 0.79 CCR5 (0.37) CCR5ALDH1A1
SCHEMBL27410245 0.78 SMN1; SMN2 (0.50) LMNAGAADGAT1CCR5SMN1; SMN2
SCHEMBL31445677 0.78 SMN1; SMN2 (0.45) LMNATDP1ITGAVITGB6USP30

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