SCHEMBL8065330

SCHEMBL8065330

Cc1ccccc1C=CC(=O)Nc1ccc(Cl)cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.58
TRPM8 Q7Z2W7 2/20 0.58
KDM4E B2RXH2 1/20 0.53
HSD17B10 Q99714 1/20 0.53
EGFR P00533 2/20 0.53
MAPT P10636 3/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SERPINE1 P05121 4/20 0.49
TP53 P04637 2/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
TRPM2 O94759 1/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL8065329 1.00 TRPA1 (0.58) TRPA1TRPM8KDM4EHSD17B10EGFR
SCHEMBL8063192 0.90 ALDH1A1 (0.61) TRPA1TRPM8KDM4EEGFRMAPT
SCHEMBL8063189 0.90 ALDH1A1 (0.61) TRPA1TRPM8KDM4EEGFRMAPT
SCHEMBL8060511 0.88 TRPA1 (0.76) TRPA1TRPM8KDM4EHSD17B10EGFR
SCHEMBL8060509 0.88 TRPA1 (0.76) TRPA1TRPM8KDM4EHSD17B10EGFR
SCHEMBL8060440 0.85 TRPA1 (0.58) TRPA1TRPM8KDM4EHSD17B10EGFR
SCHEMBL8060362 0.85 TRPA1 (0.58) TRPA1TRPM8KDM4EHSD17B10EGFR
SCHEMBL8060365 0.85 TRPA1 (0.58) TRPA1TRPM8KDM4EHSD17B10EGFR
SCHEMBL8060437 0.85 TRPA1 (0.58) TRPA1TRPM8KDM4EHSD17B10EGFR
SCHEMBL8048954 0.85 TRPA1 (0.74) TRPA1TRPM8KDM4EHSD17B10EGFR

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