SCHEMBL2439748

SCHEMBL2439748

CC(C)(C)OC(=O)N1C[C@@H](Oc2ccccc2)C[C@@]1(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.47
GPR119 Q8TDV5 3/20 0.40
KDM1A O60341 2/20 0.39
RORC P51449 8/20 0.39
CHRM2 P08172 4/20 0.38
CHRM3 P20309 4/20 0.38
ABCB1 P08183 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
SCHEMBL6502286 0.90 HDAC1 (0.39) USP30GPR119RORC
SCHEMBL2434897 0.89 USP30 (0.38) USP30GPR119RORCCHRM2CHRM3
SCHEMBL2059484 0.88 HSD11B1 (0.40) USP30
SCHEMBL704571 0.82 ABCB1 (0.41) USP30GPR119RORCCHRM3ABCB1
SCHEMBL27223224 0.82 ABCB1 (0.41) USP30GPR119RORCCHRM3ABCB1
SCHEMBL23043429 0.82 ABCB1 (0.41) USP30GPR119RORCCHRM3ABCB1
SCHEMBL1260709 0.81 HSD11B1 (0.35) USP30GPR119KDM1ARORC
SCHEMBL1083425 0.81 GPR119 (0.34) USP30GPR119RORC
SCHEMBL1072985 0.81 GPR119 (0.34) USP30GPR119RORC
SCHEMBL18321103 0.80 NR1H2 (0.36) GPR119RORCCHRM2CHRM3

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-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed