SCHEMBL8065231

SCHEMBL8065231

O=C(/C=C/c1ccccc1C(F)(F)F)Nc1cc(Cl)ccc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 7/20 0.64
MAOB P27338 3/20 0.60
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 1/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
TRPA1 O75762 3/20 0.55
TRPM8 Q7Z2W7 2/20 0.55
MAOA P21397 1/20 0.54
KCNK2 O95069 1/20 0.49
NFKB1 P19838 1/20 0.49
EGFR P00533 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
SCHEMBL8065234 1.00 GRIK1 (0.64) GRIK1MAOBMEN1KMT2AALDH1A1
SCHEMBL8047998 0.91 MAOB (0.60) GRIK1MAOBMEN1KMT2AALDH1A1
SCHEMBL8047989 0.91 MAOB (0.60) GRIK1MAOBMEN1KMT2AALDH1A1
SCHEMBL8048012 0.86 MAOB (0.69) MAOBMEN1KMT2APOLBMAPT
SCHEMBL8048008 0.86 MAOB (0.69) MAOBMEN1KMT2APOLBMAPT
SCHEMBL8065940 0.85 GRIK1 (0.62) GRIK1MEN1KMT2AALDH1A1POLB
SCHEMBL8065942 0.85 GRIK1 (0.62) GRIK1MEN1KMT2AALDH1A1POLB
SCHEMBL8065991 0.84 TRPA1 (0.76) GRIK1MAOBMEN1KMT2AALDH1A1
SCHEMBL8065988 0.84 TRPA1 (0.76) GRIK1MAOBMEN1KMT2AALDH1A1
SCHEMBL8144449 0.82 GRIK1 (0.62) GRIK1MEN1KMT2AALDH1A1POLB

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