SCHEMBL8059534

SCHEMBL8059534

C=C(CC(=O)Nc1ccccc1C(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.54
TRPM8 Q7Z2W7 1/20 0.54
KMT2A Q03164 3/20 0.51
KCNK2 O95069 1/20 0.51
KCNK10 P57789 1/20 0.51
TAS2R14 Q9NYV8 2/20 0.50
GRIK1 P39086 1/20 0.49
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DHODH Q02127 1/20 0.48
HCAR2 Q8TDS4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PPARG P37231 2/20 0.47
PPARD Q03181 2/20 0.47
PPARA Q07869 2/20 0.47
NR1H4 Q96RI1 2/20 0.47
MEN1 O00255 2/20 0.46
PTGS1 P23219 1/20 0.46
LMNA P02545 1/20 0.46
CYP2C9 P11712 1/20 0.45

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
SCHEMBL8060436 0.86 KMT2A (0.60) KMT2AALDH1A1L3MBTL1
SCHEMBL8058385 0.78 HCAR2 (0.69) HCAR2CYP2C9
SCHEMBL8688769 0.78 TRPA1 (0.55) TRPA1TRPM8KMT2ATAS2R14GRIK1
SCHEMBL8689047 0.77 LMNA (0.75) TRPA1TRPM8KMT2AKCNK2KCNK10
SCHEMBL2292297 0.75 KCNK2 (0.62) TRPA1TRPM8KMT2AKCNK2KCNK10
SCHEMBL10501327 0.75 KMT2A (0.83) KMT2AALDH1A1L3MBTL1HCAR2MEN1
SCHEMBL22524971 0.74 TRPA1 (0.54) TRPA1TRPM8KMT2AKCNK2KCNK10
SCHEMBL27455560 0.74 ALDH1A1 (0.52) TRPA1TRPM8ALDH1A1RXFP1PPARG
SCHEMBL6784843 0.73 TERT (0.65) TRPA1TRPM8KCNK2KCNK10TAS2R14
SCHEMBL4022885 0.73 TRPV1 (0.69)

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 8 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 claimed
EP-1003712-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-31 EP claimed
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 claimed
WO-1999007669-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-18 WO claimed
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