SCHEMBL8060484

SCHEMBL8060484

C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.70
TRPM8 Q7Z2W7 2/20 0.70
GRIK1 P39086 2/20 0.57
TRPM2 O94759 1/20 0.53
RXFP1 Q9HBX9 5/20 0.50
TRPA1 O75762 2/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
TAS2R14 Q9NYV8 3/20 0.49
KDM4E B2RXH2 1/20 0.48
MPO P05164 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
SCHEMBL8060487 1.00 DHODH (0.70) DHODHTRPM8GRIK1TRPM2RXFP1
SCHEMBL8048873 0.87 TRPM8 (0.76) DHODHTRPM8GRIK1TRPM2TRPA1
SCHEMBL29966740 0.87 TRPM8 (0.76) DHODHTRPM8GRIK1TRPM2TRPA1
SCHEMBL8048868 0.87 TRPM8 (0.76) DHODHTRPM8GRIK1TRPM2TRPA1
SCHEMBL8058349 0.87 GRIK1 (0.60) DHODHTRPM8GRIK1MEN1KMT2A
SCHEMBL8058348 0.87 GRIK1 (0.60) DHODHTRPM8GRIK1MEN1KMT2A
SCHEMBL8063204 0.87 MPO (0.57) DHODHTRPM8GRIK1MEN1KMT2A
SCHEMBL8063205 0.87 MPO (0.57) DHODHTRPM8GRIK1MEN1KMT2A
SCHEMBL8060371 0.86 TRPM8 (0.74) DHODHTRPM8GRIK1TRPM2TRPA1
SCHEMBL8060378 0.86 TRPM8 (0.74) DHODHTRPM8GRIK1TRPM2TRPA1

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