SCHEMBL8065307

SCHEMBL8065307

CC(=CC(=O)Nc1ccccc1C(=O)O)c1ccc(C(F)(F)F)cc1.[NaH]

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TERT O14746 4/20 0.63
TRPA1 O75762 1/20 0.61
TRPM8 Q7Z2W7 1/20 0.61
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
KCNK2 O95069 1/20 0.49
KCNK10 P57789 1/20 0.49
TAS2R14 Q9NYV8 3/20 0.48
TRPM2 O94759 1/20 0.47
GRIK1 P39086 1/20 0.47
DEGS1 O15121 1/20 0.47
DHODH Q02127 1/20 0.46
LTB4R Q15722 1/20 0.46
RXFP1 Q9HBX9 2/20 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
SCHEMBL8065298 1.00 TERT (0.63) TERTTRPA1TRPM8NR4A1NR4A2
SCHEMBL8065303 1.00 TERT (0.63) TERTTRPA1TRPM8NR4A1NR4A2
SCHEMBL6784843 0.99 TERT (0.65) TERTTRPA1TRPM8NR4A1NR4A2
SCHEMBL8065300 0.87 TERT (0.50) TERTTRPA1TRPM8NR4A1NR4A2
SCHEMBL6791993 0.87 CYP1A2 (0.53) TERTTRPA1TRPM8NR4A1NR4A2
SCHEMBL4026552 0.83 TERT (0.70) TERTTRPM8TRPM2DEGS1DHODH
SCHEMBL6781248 0.82 TERT (0.69) TERTTRPA1TRPM8KCNK2KCNK10
SCHEMBL14340865 0.82 TERT (0.69) TERTTRPA1TRPM8KCNK2KCNK10
SCHEMBL6781230 0.80 TERT (0.72) TERTTRPA1TRPM8NR4A1NR4A2
SCHEMBL6790601 0.79 TERT (0.72) TERTTRPA1TRPM8DEGS1DHODH

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