SCHEMBL18190841

SCHEMBL18190841

CC(C)COC(=O)N[C@H](CCC(N)=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 11/20 0.51
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 1/20 0.43
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
RIMKLA Q8IXN7 1/20 0.40
NAALAD2 Q9Y3Q0 1/20 0.40

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
SCHEMBL21538566 1.00 FOLH1 (0.51) FOLH1SMN1; SMN2KMT2ACA2CA1
SCHEMBL6700916 0.87 FOLH1 (0.61) FOLH1SMN1; SMN2RIMKLANAALAD2
Hydrochloric Acid SCHEMBL28220853 0.83 FOLH1 (0.46) FOLH1SMN1; SMN2KMT2ACA2CA1
SCHEMBL27623042 0.82 FOLH1 (0.50) FOLH1KMT2ACA2CA1RIMKLA
SCHEMBL25267184 0.81 SMN1; SMN2 (0.46) FOLH1SMN1; SMN2
SCHEMBL31444322 0.81 SMN1; SMN2 (0.46) FOLH1SMN1; SMN2
SCHEMBL12986944 0.81 KMT2A (0.44) FOLH1KMT2ACA2CA1RIMKLA
SCHEMBL8088657 0.80 SMN1; SMN2 (0.49) FOLH1SMN1; SMN2KMT2A
SCHEMBL21324906 0.80 FOLH1 (0.51) FOLH1SMN1; SMN2CA2CA1
SCHEMBL16557162 0.80 FOLH1 (0.51) FOLH1SMN1; SMN2CA2CA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3265448-A1 RILUZOLE PRODRUGS AND THEIR USE Biohaven Pharmaceutical Holding Company Ltd. (US) 2018-01-10 EP disclosed
WO-2016140879-A9 RILUZOLE PRODRUGS AND THEIR USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2016-11-03 WO disclosed