SCHEMBL8058348

SCHEMBL8058348

C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1cc(Cl)ccc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 12/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
DHODH Q02127 2/20 0.52
TRPM8 Q7Z2W7 1/20 0.52
MPO P05164 2/20 0.49
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRIK2 Q13002 1/20 0.44

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
SCHEMBL8058349 1.00 GRIK1 (0.60) GRIK1MEN1KMT2ADHODHTRPM8
SCHEMBL8063205 0.92 MPO (0.57) GRIK1MEN1KMT2ADHODHTRPM8
SCHEMBL8063204 0.92 MPO (0.57) GRIK1MEN1KMT2ADHODHTRPM8
SCHEMBL8058422 0.88 GRIK1 (0.61) GRIK1MEN1KMT2ADHODHTRPM8
SCHEMBL8058427 0.88 GRIK1 (0.61) GRIK1MEN1KMT2ADHODHTRPM8
SCHEMBL8059672 0.88 DHODH (0.60) GRIK1MEN1KMT2ADHODHTRPM8
SCHEMBL8059669 0.88 DHODH (0.60) GRIK1MEN1KMT2ADHODHTRPM8
SCHEMBL8063210 0.87 GRIK1 (0.60) GRIK1MEN1KMT2ADHODHTRPM8
SCHEMBL8063207 0.87 GRIK1 (0.60) GRIK1MEN1KMT2ADHODHTRPM8
SCHEMBL8060487 0.87 DHODH (0.70) GRIK1MEN1KMT2ADHODHTRPM8

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