SCHEMBL8060362

SCHEMBL8060362

O=C(/C=C/c1ccccc1Br)Nc1ccc(Cl)cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.58
TRPM8 Q7Z2W7 3/20 0.58
EGFR P00533 2/20 0.53
TRPM2 O94759 1/20 0.53
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 1/20 0.49
SERPINE1 P05121 4/20 0.49
GRIK1 P39086 1/20 0.49
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46

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
SCHEMBL8060365 1.00 TRPA1 (0.58) TRPA1TRPM8EGFRTRPM2KDM4E
SCHEMBL8144447 0.90 GRIK1 (0.62) TRPA1TRPM8EGFRPOLBMEN1
SCHEMBL8144449 0.90 GRIK1 (0.62) TRPA1TRPM8EGFRPOLBMEN1
SCHEMBL8060511 0.88 TRPA1 (0.76) TRPA1TRPM8EGFRKDM4EHSD17B10
SCHEMBL8060509 0.88 TRPA1 (0.76) TRPA1TRPM8EGFRKDM4EHSD17B10
SCHEMBL8060437 0.85 TRPA1 (0.58) TRPA1TRPM8EGFRTRPM2KDM4E
SCHEMBL8060440 0.85 TRPA1 (0.58) TRPA1TRPM8EGFRTRPM2KDM4E
SCHEMBL8065329 0.85 TRPA1 (0.58) TRPA1TRPM8EGFRTRPM2KDM4E
SCHEMBL8065330 0.85 TRPA1 (0.58) TRPA1TRPM8EGFRTRPM2KDM4E
SCHEMBL2780616 0.84 TRPA1 (0.71) TRPA1TRPM8EGFRTRPM2KDM4E

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
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
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