SCHEMBL8063286

SCHEMBL8063286

O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccccc1C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM2 O94759 3/20 0.78
TRPA1 O75762 5/20 0.76
TRPM8 Q7Z2W7 2/20 0.76
KDM4E B2RXH2 2/20 0.72
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
PKM P14618 2/20 0.65
NPSR1 Q6W5P4 2/20 0.65
MAPT P10636 2/20 0.65
LMNA P02545 1/20 0.65
HSP90AA1 P07900 1/20 0.65
MAOB P27338 1/20 0.60
HTT P42858 1/20 0.60
THRB P10828 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
LTB4R Q15722 1/20 0.60
GRIK1 P39086 1/20 0.59
ALDH1A1 P00352 2/20 0.58
TP53 P04637 2/20 0.58
CYP3A4 P08684 2/20 0.58

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
SCHEMBL8063287 1.00 TRPM2 (0.78) TRPM2TRPA1TRPM8KDM4EMEN1
SCHEMBL22441694 0.88 TRPM2 (0.64) TRPM2TRPA1TRPM8KDM4EMEN1
SCHEMBL22441697 0.88 TRPM2 (0.64) TRPM2TRPA1TRPM8KDM4EMEN1
SCHEMBL8063301 0.86 MEN1 (0.62) TRPM2TRPA1TRPM8KDM4EMEN1
SCHEMBL8063297 0.86 MEN1 (0.62) TRPM2TRPA1TRPM8KDM4EMEN1
SCHEMBL8065358 0.86 KDM4E (0.60) TRPM2TRPA1TRPM8KDM4EMEN1
SCHEMBL8065360 0.86 KDM4E (0.60) TRPM2TRPA1TRPM8KDM4EMEN1
SCHEMBL6517921 0.86 TRPA1 (1.00) TRPM2TRPA1TRPM8KDM4EMEN1
SCHEMBL6517926 0.86 TRPA1 (1.00) TRPM2TRPA1TRPM8KDM4EMEN1
SCHEMBL2777285 0.84 TRPM2 (0.76) TRPM2TRPA1TRPM8KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127392-A A MUSCLE RELAXANT FOR TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION; INOTROPIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-03 US disclosed
EP-1003712-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-31 EP disclosed
US-6046239-A USED IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION SUCH AS URINARY INCONTINENCE, ASTHMA, ANGINA, PREMATURE LABOR, CONGESTIVE HEART FAILURE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-04-04 US disclosed
WO-1999007669-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-18 WO disclosed