SCHEMBL1067934

SCHEMBL1067934

CC(c1cccc([N+](=O)[O-])c1)C(C)(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.49
TP53 P04637 1/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 3/20 0.46
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MAPT P10636 1/20 0.44
ACHE P22303 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL27919083 0.85 ALDH1A1 (0.49) ACP3L3MBTL1MEN1KMT2AHPGD
SCHEMBL307016 0.78 AKR1C3 (0.67) ACP3L3MBTL1MEN1KMT2AHPGD
SCHEMBL8582041 0.78 AKR1C3 (0.67) ACP3L3MBTL1MEN1KMT2AHPGD
SCHEMBL3992888 0.78 AKR1C3 (0.67) ACP3L3MBTL1MEN1KMT2AHPGD
SCHEMBL28025968 0.78 MEN1 (0.48) ACP3L3MBTL1MEN1KMT2AHPGD
SCHEMBL22301338 0.78 ACP3 (0.51) ACP3L3MBTL1MEN1KMT2AHPGD
SCHEMBL21853774 0.77 ACP3 (0.48) ACP3L3MBTL1MEN1KMT2AHPGD
SCHEMBL21853777 0.77 ACP3 (0.48) ACP3L3MBTL1MEN1KMT2AHPGD
SCHEMBL21853776 0.77 ACP3 (0.48) ACP3L3MBTL1MEN1KMT2AHPGD
SCHEMBL25875906 0.77 ACP3 (0.48) ACP3L3MBTL1MEN1KMT2AHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed
EP-2268625-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-01-05 EP disclosed
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 WO disclosed