SCHEMBL4750352

SCHEMBL4750352

C[C@@H](OC(=O)N1CCN(C(=O)O[C@H](C)Oc2ccc(C(C)(C)C)cc2)CC1)Oc1ccc(C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
HTT P42858 3/20 0.55
NPC1 O15118 2/20 0.55
MAPT P10636 1/20 0.55
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
TRPV1 Q8NER1 3/20 0.44
TRPA1 O75762 1/20 0.44
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
POLB P06746 1/20 0.40
PTGES O14684 1/20 0.40
CYP1A2 P05177 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
SCHEMBL4751878 0.83 CYP1A2 (0.49) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL1527719 0.80 NR1H4 (0.47) RAB9ASMN1; SMN2HTTNPC1MAPT
SCHEMBL4299441 0.78 MGLL (0.47) SMN1; SMN2ALDH1A1HRH2HRH1CYP2C19
SCHEMBL4753413 0.78 TDP1 (0.51) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL8894258 0.76 NR1H4 (0.44) RAB9ASMN1; SMN2HTTNPC1MAPT
SCHEMBL4753498 0.75 ALDH1A1 (0.48) SMN1; SMN2NPC1MAPTMEN1KMT2A
SCHEMBL4750109 0.73 ALDH1A1 (0.40) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL4293429 0.73 FKBP1A (0.48) RAB9AHTTNPC1MAPTMEN1
SCHEMBL5278939 0.72 NR1H4 (0.52) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL14227022 0.71 MAPT (0.45) RAB9ASMN1; SMN2NPC1MAPTALDH1A1

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