SCHEMBL7005049

SCHEMBL7005049

CC(C)(C)OC(=O)c1cc2cccc(C(=O)O)c2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.48
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
KEAP1 Q14145 1/20 0.42
APEX1 P27695 1/20 0.42
NSD2 O96028 1/20 0.39
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
PIM1 P11309 1/20 0.37
GFER P55789 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL11035155 0.80 HSD17B10 (0.62) DHODHHPGDHSD17B10MEN1ALDH1A1
SCHEMBL30228606 0.78 GABRA1 (0.45) HPGDHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL6517016 0.75 HPGD (0.53) DHODHHPGDHSD17B10MEN1ALDH1A1
SCHEMBL29496122 0.75 KDM4E (0.63) HPGDHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL318243 0.75 KDM4E (0.63) HPGDHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL13491530 0.75 DHODH (0.54) DHODHHPGDHSD17B10MEN1ALDH1A1
Benzoic Acid SCHEMBL28064485 0.74 KDM4E (0.56) HPGDHSD17B10ALDH1A1KDM4EMAPT
Ammonia Solution, Strong SCHEMBL27264748 0.74 KDM4E (0.61) HPGDHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL3633330 0.73 HPGD (0.57) DHODHHPGDHSD17B10MEN1ALDH1A1
SCHEMBL29987319 0.73 CDK1 (0.48) HPGDHSD17B10MEN1ALDH1A1KMT2A

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-1325008-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-07-09 EP disclosed
WO-2002010169-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 WO disclosed