SCHEMBL14714459

SCHEMBL14714459

COC(=O)C(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP3A4 P08684 1/20 0.55
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
CYP26A1 O43174 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.50
GAA P10253 3/20 0.49
LMNA P02545 1/20 0.49
ALOX12 P18054 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ROCK2 O75116 1/20 0.47
RPS6KA5 O75582 1/20 0.47
MAP4K4 O95819 1/20 0.47
CDK1 P06493 1/20 0.47
CSF1R P07333 1/20 0.47
PRKACA P17612 1/20 0.47
FLT1 P17948 1/20 0.47

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
SCHEMBL14714512 0.87 HPGDS (0.66) HPGDSALDH1A1CYP3A4RAB9ANPC1
SCHEMBL9459921 0.83 GAA (0.59) ALDH1A1CYP3A4RAB9AGAALMNA
SCHEMBL6365450 0.81 CYP3A4 (0.47) HPGDSALDH1A1CYP3A4RAB9ANPC1
SCHEMBL14724516 0.80 RAB9A (0.58) HPGDSALDH1A1CYP3A4RAB9ANPC1
SCHEMBL4067128 0.80 ALDH1A1 (0.71) HPGDSALDH1A1CYP3A4RAB9ANPC1
SCHEMBL1109093 0.79 NPC1 (0.54) HPGDSALDH1A1CYP3A4RAB9ANPC1
SCHEMBL12055633 0.79 NPC1 (0.54) HPGDSALDH1A1CYP3A4RAB9ANPC1
SCHEMBL1109199 0.79 CYP26A1 (0.59) HPGDSALDH1A1CYP3A4RAB9ANPC1
SCHEMBL2493020 0.79 GAA (0.55) ALDH1A1CYP3A4RAB9AGAALMNA
SCHEMBL14755268 0.78 CYP26A1 (0.58) HPGDSALDH1A1CYP3A4RAB9ANPC1

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
EP-2562155-B1 HYDROXAMIC ACID DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2019-06-05 EP disclosed
EP-2562155-A1 NOVEL HYDROXAMIC ACID DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-02-27 EP disclosed