SCHEMBL4753583

SCHEMBL4753583

C[C@H](OC(=O)N1CCN(C(=O)O[C@@H](C)Sc2ccccc2)CC1)Sc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 3/20 0.44
LMNA P02545 3/20 0.43
GAA P10253 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MGLL Q99685 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 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
SCHEMBL9427630 0.78 LMNA (0.42) ALDH1A1MAPTSMN1; SMN2POLBLMNA
SCHEMBL28617660 0.78 ALDH1A1 (0.43) ALDH1A1HPGDMAPTSMN1; SMN2POLB
SCHEMBL465266 0.76 LMNA (0.41) ALDH1A1SMN1; SMN2POLBLMNAGAA
SCHEMBL10767133 0.75 TSHR (0.52) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8896301 0.73 L3MBTL1 (0.42) ALDH1A1MAPTSMN1; SMN2POLBLMNA
SCHEMBL9422948 0.73 POLB (0.45) ALDH1A1MAPTSMN1; SMN2POLBLMNA
SCHEMBL4301644 0.73 LMNA (0.58) ALDH1A1HPGDMAPTSMN1; SMN2NPC1
SCHEMBL2392777 0.72 ELANE (0.41) ALDH1A1HPGDMAPTSMN1; SMN2LMNA
SCHEMBL42561 0.72 LMNA (0.38) ALDH1A1SMN1; SMN2POLBLMNAGAA
SCHEMBL7388012 0.71 KMT2A (0.39) ALDH1A1HPGDMAPTCYP1A2CYP2C9

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