SCHEMBL8170826

SCHEMBL8170826

COOCc1ccc([N+](=O)[O-])c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.49
▸ SNCA P37840 2/20 0.44
▸ SIRT6 Q8N6T7 1/20 0.41
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL2346437 0.87 GPR35 (0.51) GPR35SNCASIRT6MAPTALDH1A1
SCHEMBL10819595 0.80 GPR35 (0.47) GPR35SNCASIRT6MAPTALDH1A1
Hydrochloric Acid SCHEMBL11339240 0.79 IDO1 (0.56) GPR35SNCASIRT6MAPTALDH1A1
SCHEMBL4962677 0.78 GPR35 (0.56) GPR35SNCASIRT6MAPTALDH1A1
SCHEMBL27671999 0.78 GPR35 (0.49) GPR35SNCASIRT6MAPTALDH1A1
SCHEMBL14050248 0.78 ALDH1A1 (0.49) MAPTALDH1A1POLBHPGDKDM4E
SCHEMBL28917367 0.78 GPR35 (0.49) GPR35SNCASIRT6MAPTALDH1A1
SCHEMBL9198508 0.78 SNCA (0.62) GPR35SNCASIRT6MAPTALDH1A1
SCHEMBL2435686 0.77 ALDH1A1 (0.55) GPR35SNCASIRT6MAPTALDH1A1
SCHEMBL28917368 0.77 GPR35 (0.47) GPR35SNCASIRT6MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 — — WO disclosed
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