SCHEMBL6825893

SCHEMBL6825893

COc1ccc(COC(=O)Nc2cccc3ccc(O)cc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.58
PLAU P00749 1/20 0.56
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TACR3 P29371 1/20 0.49

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
SCHEMBL6824610 0.83 KDM4E (0.78) TRPV1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4808201 0.81 ALDH1A1 (0.72) TRPV1PLAUKDM4EMEN1ALDH1A1
SCHEMBL30125017 0.81 TRPV1 (0.70) TRPV1PLAUKDM4EMEN1KMT2A
SCHEMBL1413214 0.81 TRPV1 (0.70) TRPV1PLAUKDM4EMEN1KMT2A
SCHEMBL8017317 0.79 TRPV1 (0.61) TRPV1PLAUKDM4EMEN1ALDH1A1
SCHEMBL6825453 0.75 TRPV1 (0.84) TRPV1KDM4EMEN1KMT2ARAB9A
SCHEMBL3034797 0.74 MIF (0.60) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL31680675 0.74 TRPV1 (0.64) TRPV1KDM4EMEN1KMT2ARAB9A
SCHEMBL14974717 0.74 ALDH1A1 (0.63) TRPV1PLAUKDM4EMEN1ALDH1A1
SCHEMBL487254 0.74 TRPV1 (0.64) TRPV1KDM4EMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004089877-A1 NEW HYDROXYNAPHTHYL AMIDES ASTRAZENECA AB (SE) 2004-10-21 WO claimed
WO-2004089877-A1 NEW HYDROXYNAPHTHYL AMIDES ASTRAZENECA AB (SE) 2004-10-21 WO disclosed