SCHEMBL4753413

SCHEMBL4753413

Cc1ccc(O[C@@H](C)OC(=O)N2CCN(C(=O)O[C@H](C)Oc3ccc(C)c(C)c3)CC2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
FKBP1A P62942 2/20 0.44
GPR183 P32249 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 2/20 0.40
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL4750109 0.86 ALDH1A1 (0.40) TDP1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4751878 0.84 CYP1A2 (0.49) MEN1KMT2ASMN1; SMN2POLBGAA
SCHEMBL4288263 0.82 NPSR1 (0.43) MEN1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL4751893 0.82 MGLL (0.42) MEN1KMT2ASMN1; SMN2LMNAL3MBTL1
SCHEMBL4753498 0.79 ALDH1A1 (0.48) MEN1KMT2ASMN1; SMN2POLBGAA
SCHEMBL4750352 0.78 RAB9A (0.55) MEN1KMT2ARAB9ASMN1; SMN2POLB
SCHEMBL4752657 0.77 SMN1; SMN2 (0.50) MEN1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL4293429 0.77 FKBP1A (0.48) TDP1MEN1KMT2ARAB9AFKBP1A
SCHEMBL4299441 0.77 MGLL (0.47) SMN1; SMN2GAA
SCHEMBL4297012 0.76 MEN1 (0.46) MEN1KMT2ASMN1; SMN2LMNAGAA

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-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed