SCHEMBL8063207

SCHEMBL8063207

C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(Cl)ccc1C(=O)O.[LiH]

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 9/20 0.60
DHODH Q02127 2/20 0.51
TRPM8 Q7Z2W7 2/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KCNK2 O95069 1/20 0.47
KCNK10 P57789 1/20 0.47
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TRPA1 O75762 1/20 0.43
RAB9A P51151 1/20 0.43
KDM1A O60341 1/20 0.43

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
SCHEMBL8063210 1.00 GRIK1 (0.60) GRIK1DHODHTRPM8MEN1KMT2A
SCHEMBL8058422 0.99 GRIK1 (0.61) GRIK1DHODHTRPM8MEN1KMT2A
SCHEMBL8058427 0.99 GRIK1 (0.61) GRIK1DHODHTRPM8MEN1KMT2A
SCHEMBL8065176 0.91 KDM4E (0.52) GRIK1DHODHTRPM8MEN1KMT2A
SCHEMBL8065170 0.91 KDM4E (0.52) GRIK1DHODHTRPM8MEN1KMT2A
SCHEMBL8064144 0.90 KDM4E (0.53) GRIK1DHODHTRPM8MEN1KMT2A
SCHEMBL8064143 0.90 KDM4E (0.53) GRIK1DHODHTRPM8MEN1KMT2A
SCHEMBL8061624 0.88 DHODH (0.60) GRIK1DHODHTRPM8MEN1KMT2A
SCHEMBL8061620 0.88 DHODH (0.60) GRIK1DHODHTRPM8MEN1KMT2A
Lithium Ion SCHEMBL8063209 0.88 GRIK1 (0.47) GRIK1DHODHTRPM8MEN1KMT2A

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