SCHEMBL13634677

SCHEMBL13634677

Cc1ccccc1C(=O)N[C@H](CO)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 3/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
ALOX12 P18054 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.43
UTS2R Q9UKP6 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 0.42
CCR1 P32246 1/20 0.42

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
SCHEMBL13162410 0.79 MEN1 (0.54) THRBL3MBTL1HPGDCYP1A2CYP2C19
SCHEMBL29018044 0.79 CTSD (0.56) HPGDCYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL29018041 0.79 CTSD (0.56) HPGDCYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL5221653 0.76 HPGD (0.56) THRBL3MBTL1HPGDCYP2C9LMNA
Hydrochloric Acid SCHEMBL4682469 0.76 HPGD (0.47) THRBL3MBTL1HPGDCYP1A2CYP2C19
SCHEMBL10657352 0.76 L3MBTL1 (0.52) THRBL3MBTL1HPGDSMN1; SMN2GAA
SCHEMBL18419393 0.76 L3MBTL1 (0.52) THRBL3MBTL1HPGDSMN1; SMN2GAA
SCHEMBL13162409 0.76 TAS1R3 (0.51) THRBL3MBTL1HPGDLMNAMEN1
SCHEMBL19813081 0.75 HPGD (0.56) THRBL3MBTL1HPGDLMNASMN1; SMN2
SCHEMBL4682849 0.75 CNR2 (0.50) THRBL3MBTL1HPGDLMNAMEN1

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed