SCHEMBL13982785

SCHEMBL13982785

CCCCOc1cc(O)ccc1-c1cccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PTGER1 P34995 1/20 0.39
▸ HPGD P15428 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ AKR1C1 Q04828 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 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
SCHEMBL13982697 0.86 MAPT (0.49) MAPTALDH1A1KMT2ARAB9ANPC1
SCHEMBL13982767 0.83 GUSB (0.41) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL13982790 0.83 PTGER1 (0.46) MAPTKMT2ARAB9ANPC1MEN1
SCHEMBL13982786 0.82 MAPT (0.47) MAPTALDH1A1KMT2ARAB9ANPC1
SCHEMBL13982736 0.76 NPC1 (0.50) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL13982792 0.74 MAPT (0.45) MAPTALDH1A1KMT2ARAB9AMEN1
SCHEMBL13982789 0.74 SMN1; SMN2 (0.46) MAPTALDH1A1KMT2ARAB9ANPC1
SCHEMBL25725903 0.73 AKR1C3 (0.55) MAPTALDH1A1KMT2ARAB9ANPC1
SCHEMBL13982748 0.73 RAB9A (0.43) MAPTALDH1A1KMT2ARAB9ANPC1
SCHEMBL16175317 0.72 MAPT (0.46) MAPTALDH1A1KMT2ARAB9ANPC1

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-2008156656-A2 METHOD FOR MAKING BIARYL COMPOUNDS, COMPOUNDS MADE BY THE METHOD, AND METHOD FOR THEIR USE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2008-12-24 — — WO disclosed
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