SCHEMBL28760189

SCHEMBL28760189

O=C(O)c1cccc(Oc2ccc([N+](=O)[O-])c(O)c2)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.49
F10 P00742 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
MEN1 O00255 1/20 0.45
TTR P02766 1/20 0.45
PPOX P50336 1/20 0.45
KMT2A Q03164 1/20 0.45
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
AKR1C1 Q04828 2/20 0.43
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43
AKR1C4 P17516 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 2/20 0.42
PYGL P06737 3/20 0.42
PYGM P11217 2/20 0.42
KDM4E B2RXH2 2/20 0.40
GPR35 Q9HC97 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL27636863 0.90 HPSE (0.49) HPSEF10TDP1MEN1TTR
SCHEMBL4843320 0.81 GPR35 (0.51) HPSEF10TDP1MEN1TTR
SCHEMBL4845235 0.80 GPR35 (0.47) F10TDP1MEN1KMT2AKDM4E
SCHEMBL27657761 0.79 POLB (0.49) HPSETDP1MEN1TTRPPOX
SCHEMBL3296918 0.78 HPSE (0.52) HPSEF10TDP1MEN1TTR
SCHEMBL426354 0.78 KDM4E (0.55) HPSETDP1AKR1C3TSHRPOLB
SCHEMBL261107 0.78 CTNNB1 (0.50) HPSETDP1MEN1KMT2ATSHR
SCHEMBL31105217 0.78 CTNNB1 (0.50) HPSETDP1MEN1KMT2ATSHR
SCHEMBL10784715 0.78 TDP1 (0.58) HPSEF10TDP1MEN1TTR
SCHEMBL716921 0.77 PYGL (0.53) HPSETDP1POLBPYGLPYGM

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
CN-100443464-C AB type dibasic aminoacid monomer containing hydroxy group and its preparation method UNIV SICHUAN (CN) 2008-12-17 CN disclosed
CN-1865225-A AB type dibasic aminoacid monomer containing hydroxy group and its preparation method UNIV SICHUAN (CN) 2006-11-22 CN disclosed