SCHEMBL8059565

SCHEMBL8059565

COC(=O)c1ccccc1NC(=O)C=Cc1ccc(Br)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.74
TRPM8 Q7Z2W7 1/20 0.74
ALDH1A1 P00352 5/20 0.65
KDM4E B2RXH2 4/20 0.65
HPGD P15428 4/20 0.65
LMNA P02545 2/20 0.65
NPSR1 Q6W5P4 2/20 0.65
GAA P10253 1/20 0.65
SMN1; SMN2 Q16637 5/20 0.63
HTT P42858 1/20 0.63
RAB9A P51151 4/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
NPC1 O15118 3/20 0.62
MAPT P10636 2/20 0.62
THRB P10828 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MMP1 P03956 3/20 0.57
MMP2 P08253 3/20 0.57
MMP9 P14780 3/20 0.57

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
SCHEMBL8059558 1.00 TRPA1 (0.74) TRPA1TRPM8ALDH1A1KDM4EHPGD
SCHEMBL28609662 0.89 SMN1; SMN2 (0.74) TRPA1TRPM8ALDH1A1KDM4EHPGD
SCHEMBL28609663 0.89 SMN1; SMN2 (0.74) TRPA1TRPM8ALDH1A1KDM4EHPGD
SCHEMBL6786949 0.87 TRPA1 (0.74) TRPA1TRPM8ALDH1A1KDM4EHPGD
SCHEMBL6786952 0.87 TRPA1 (0.74) TRPA1TRPM8ALDH1A1KDM4EHPGD
SCHEMBL2780806 0.85 TRPA1 (1.00) TRPA1TRPM8ALDH1A1KDM4EHPGD
SCHEMBL2780804 0.85 TRPA1 (1.00) TRPA1TRPM8ALDH1A1KDM4EHPGD
SCHEMBL14227305 0.82 ALDH1A1 (0.65) TRPA1ALDH1A1KDM4EHPGDLMNA
SCHEMBL28052110 0.82 MMP1 (0.72) TRPA1ALDH1A1KDM4EHPGDLMNA
SCHEMBL10497314 0.81 ALDH1A1 (0.82) TRPA1ALDH1A1KDM4EHPGDLMNA

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