SCHEMBL12670535

SCHEMBL12670535

CC[C@H](O)CN(CC)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
DPP4 P27487 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
SCHEMBL27801771 0.85 LMNA (0.32) LMNAMMP1MMP2MMP3MMP8
SCHEMBL29531268 0.80 LMNA (0.34) LMNAMMP1MMP2MMP3MMP8
SCHEMBL30918641 0.78
SCHEMBL966432 0.77 CA12 (0.48) LMNAMMP1MMP2MMP3MMP8
Hydrochloric Acid SCHEMBL27451827 0.76 CA12 (0.46) LMNAMMP1MMP2MMP3MMP8
SCHEMBL24375 0.75
SCHEMBL104168 0.75
SCHEMBL3889030 0.73
Hydrochloric Acid SCHEMBL5035419 0.73
SCHEMBL3885815 0.73

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-2011060389-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS, INC. (US) 2011-05-19 WO disclosed