SCHEMBL11442031

SCHEMBL11442031

COc1cc(C2SCC(C(=O)O)N2C(=O)[C@H](C)CSC(C)=O)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ACE P12821 2/20 0.41
▸ FFAR2 O15552 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ ANPEP P15144 1/20 0.34

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
SCHEMBL11442004 1.00 POLB (0.44) POLBGAARAB9AACEFFAR2
SCHEMBL11442022 1.00 POLB (0.44) POLBGAARAB9AACEFFAR2
SCHEMBL11199594 0.91 POLB (0.44) POLBGAARAB9AFFAR2SMN1; SMN2
SCHEMBL11474221 0.82 POLB (0.47) POLBGAARAB9AACEFFAR2
SCHEMBL11474211 0.82 POLB (0.47) POLBGAARAB9AACEFFAR2
SCHEMBL11474215 0.82 POLB (0.47) POLBGAARAB9AACEFFAR2
SCHEMBL11201160 0.80 GAA (0.47) POLBGAARAB9AFFAR2
SCHEMBL11268635 0.76 POLB (0.34) POLBGAARAB9AFFAR2
SCHEMBL11109577 0.75 GAA (0.47) POLBGAARAB9AACEFFAR2
SCHEMBL11199610 0.75 TUBB4A (0.38) POLBGAARAB9AFFAR2MMP2

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
JP-55022673-A — — None — — JP disclosed
JP-S5522673-A THIAZOLIDINECARBOXYLIC ACID DERIVATIVE YOSHITOMI PHARMACEUT IND LTD 1980-02-18 — — JP disclosed
Send feedback