SCHEMBL8048008

SCHEMBL8048008

O=C(/C=C/c1ccccc1C(F)(F)F)Nc1ccccc1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.69
TRPA1 O75762 7/20 0.66
TRPM8 Q7Z2W7 4/20 0.66
MAOA P21397 1/20 0.64
TRPM2 O94759 2/20 0.56
LTB4R Q15722 1/20 0.56
NFKB1 P19838 1/20 0.56
MEN1 O00255 2/20 0.54
NPC1 O15118 2/20 0.54
MAPT P10636 2/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
APEX1 P27695 1/20 0.54
RECQL P46063 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TAS2R14 Q9NYV8 1/20 0.53

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
SCHEMBL8048012 1.00 MAOB (0.69) MAOBTRPA1TRPM8MAOATRPM2
SCHEMBL28810074 0.86 TRPM2 (0.67) MAOBTRPA1TRPM8MAOATRPM2
SCHEMBL8047989 0.86 MAOB (0.60) MAOBTRPA1TRPM8MAOANFKB1
SCHEMBL8047998 0.86 MAOB (0.60) MAOBTRPA1TRPM8MAOANFKB1
SCHEMBL8065234 0.86 GRIK1 (0.64) MAOBTRPA1TRPM8MAOANFKB1
SCHEMBL28810071 0.86 TRPM2 (0.67) MAOBTRPA1TRPM8MAOATRPM2
SCHEMBL8065231 0.86 GRIK1 (0.64) MAOBTRPA1TRPM8MAOANFKB1
SCHEMBL8635715 0.84 TRPA1 (0.78) TRPA1TRPM8TRPM2LTB4RNFKB1
SCHEMBL8635718 0.84 TRPA1 (0.78) TRPA1TRPM8TRPM2LTB4RNFKB1
SCHEMBL2778308 0.82 TRPA1 (0.71) MAOBTRPA1TRPM8TRPM2LTB4R

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