SCHEMBL8063192

SCHEMBL8063192

Cc1ccccc1C=CC(=O)Nc1cc(Cl)ccc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
HPGD P15428 2/20 0.61
POLB P06746 1/20 0.61
MAPT P10636 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
TRPA1 O75762 3/20 0.58
TRPM8 Q7Z2W7 2/20 0.58
KCNK2 O95069 1/20 0.54
GRIK1 P39086 9/20 0.52
EGFR P00533 2/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.49
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48

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
SCHEMBL8063189 1.00 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL8065330 0.90 TRPA1 (0.58) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL8065329 0.90 TRPA1 (0.58) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL8065988 0.88 TRPA1 (0.76) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL8065991 0.88 TRPA1 (0.76) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL8144449 0.85 GRIK1 (0.62) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL8144447 0.85 GRIK1 (0.62) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL8065940 0.85 GRIK1 (0.62) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL8065942 0.85 GRIK1 (0.62) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL8065856 0.85 TRPA1 (0.74) ALDH1A1MEN1KMT2AHPGDPOLB

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