SCHEMBL13983249

SCHEMBL13983249

CCCCOc1cc(OC)ccc1-c1cccc(-c2ccccc2C)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.44
▸ PTPN1 P18031 2/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ PKM P14618 1/20 0.41
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ S1PR4 O95977 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ TLR4 O00206 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
SCHEMBL13982789 0.91 SMN1; SMN2 (0.46) RAB9APTPN1KMT2ASMN1; SMN2NPC1
SCHEMBL13982773 0.89 PTPN1 (0.48) RAB9APTPN1KMT2ASMN1; SMN2NPC1
SCHEMBL13982748 0.88 RAB9A (0.43) RAB9APTPN1KMT2ASMN1; SMN2NPC1
SCHEMBL13982697 0.85 MAPT (0.49) RAB9APTPN1KMT2ASMN1; SMN2NPC1
SCHEMBL13983269 0.85 CRHR1 (0.43) RAB9APTPN1KMT2ASMN1; SMN2NPC1
SCHEMBL13982743 0.81 PTGDR2 (0.42) RAB9APTPN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL13983250 0.81 MAPT (0.42) RAB9APTPN1KMT2ASMN1; SMN2NPC1
SCHEMBL13982742 0.81 PTGDR2 (0.42) RAB9APTPN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13982786 0.76 MAPT (0.47) RAB9AKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL13983162 0.76 RAB9A (0.48) RAB9APTPN1KMT2ASMN1; SMN2NPC1

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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