SCHEMBL17202893

SCHEMBL17202893

O=C(NCCCc1ccc(I)s1)NCCc1ccc(O)c(O)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 9/20 0.77
▸ MAPT P10636 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 1/20 0.44
▸ ALPL P05186 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ ALPG P10696 1/20 0.44

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
SCHEMBL17205964 0.87 TRPV1 (1.00) TRPV1MAPTHSD17B10KDM4EALDH1A1
SCHEMBL7105545 0.80 MAPT (0.74) TRPV1MAPTHSD17B10KDM4EALDH1A1
SCHEMBL17203261 0.79 MAPT (0.51) TRPV1MAPTHSD17B10KDM4EALDH1A1
SCHEMBL17203184 0.79 TRPV1 (0.76) TRPV1ALDH1A1HPGDBLM
SCHEMBL17203188 0.76 TRPV1 (0.73) TRPV1ALDH1A1HPGDMEN1KMT2A
SCHEMBL138689 0.74 MAPT (0.66) TRPV1MAPTHSD17B10KDM4EALDH1A1
SCHEMBL1278764 0.74 MAPT (0.73) TRPV1MAPTHSD17B10KDM4EALDH1A1
SCHEMBL7108607 0.74 MAPT (0.73) TRPV1MAPTHSD17B10KDM4EALDH1A1
SCHEMBL1709974 0.71 MAPT (0.71) TRPV1MAPTHSD17B10KDM4EALDH1A1
SCHEMBL30252290 0.71 MAPT (0.66) TRPV1MAPTHSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015162216-A1 BIARYL AMIDE OR UREA DERIVATIVES AS TRPV1 LIGANDS UNIVERSITA' DEGLI STUDI DI SIENA (IT) 2015-10-29 — — WO claimed
WO-2015162216-A1 BIARYL AMIDE OR UREA DERIVATIVES AS TRPV1 LIGANDS UNIVERSITA' DEGLI STUDI DI SIENA (IT) 2015-10-29 — — WO disclosed
WO-2015162216-A1 BIARYL AMIDE OR UREA DERIVATIVES AS TRPV1 LIGANDS UNIVERSITA' DEGLI STUDI DI SIENA (IT) 2015-10-29 — — WO disclosed
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