SCHEMBL18676178

SCHEMBL18676178

CS[C@](N)(CCS)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
ODC1 P11926 2/20 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
SCHEMBL20978332 1.00 GGT1 (0.32) GGT1MEN1ALDH1A1CYP1A2THRB
SCHEMBL28674776 0.80 FDPS (0.41) GGT1MEN1ALDH1A1CYP1A2THRB
SCHEMBL288789 0.80 FDPS (0.41) GGT1MEN1ALDH1A1CYP1A2THRB
SCHEMBL2341824 0.75
SCHEMBL8984248 0.74
SCHEMBL6931218 0.71 PAOX (0.32) ODC1
SCHEMBL940519 0.71 PAOX (0.32) ODC1
SCHEMBL600714 0.70
SCHEMBL600715 0.70
SCHEMBL27800247 0.70

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
EP-3146977-A1 TFPI INHIBITORS AND METHODS OF USE Baxalta GmbH (CH) 2017-03-29 EP disclosed