SCHEMBL13982697

SCHEMBL13982697

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.49
▸ HPGD P15428 3/20 0.49
▸ S1PR4 O95977 1/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ LMNA P02545 2/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TLR4 O00206 1/20 0.39
▸ TLR2 O60603 1/20 0.39

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
SCHEMBL13982786 0.91 MAPT (0.47) MAPTHPGDRAB9ASMN1; SMN2LMNA
SCHEMBL13982789 0.87 SMN1; SMN2 (0.46) MAPTHPGDRAB9ASMN1; SMN2LMNA
SCHEMBL13982785 0.86 MAPT (0.41) MAPTHPGDRAB9ASMN1; SMN2LMNA
SCHEMBL13982748 0.86 RAB9A (0.43) MAPTHPGDRAB9ASMN1; SMN2LMNA
SCHEMBL13982773 0.85 PTPN1 (0.48) MAPTHPGDRAB9ASMN1; SMN2LMNA
SCHEMBL13983249 0.85 RAB9A (0.44) MAPTHPGDS1PR4RAB9ASMN1; SMN2
SCHEMBL13983157 0.83 MAPT (0.48) MAPTHPGDS1PR4RAB9ASMN1; SMN2
SCHEMBL13983269 0.82 CRHR1 (0.43) MAPTHPGDRAB9ASMN1; SMN2NPC1
SCHEMBL13983250 0.80 MAPT (0.42) MAPTHPGDRAB9ASMN1; SMN2LMNA
SCHEMBL13982743 0.80 PTGDR2 (0.42) MAPTHPGDRAB9ASMN1; SMN2LMNA

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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