SCHEMBL8065170

SCHEMBL8065170

C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)O.[LiH]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52
DHODH Q02127 5/20 0.51
TRPM8 Q7Z2W7 2/20 0.51
SERPINE1 P05121 3/20 0.50
GRIK1 P39086 2/20 0.48
MPO P05164 1/20 0.48
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
KCNK2 O95069 1/20 0.47
KCNK10 P57789 1/20 0.47
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
TRPA1 O75762 1/20 0.43
TMPRSS4 Q9NRS4 2/20 0.43
P2RX1 P51575 1/20 0.43
P2RX4 Q99571 1/20 0.43
P2RX7 Q99572 1/20 0.43
NPC1 O15118 1/20 0.41

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
SCHEMBL8065176 1.00 KDM4E (0.52) KDM4EHSD17B10DHODHTRPM8SERPINE1
SCHEMBL8064143 0.99 KDM4E (0.53) KDM4EHSD17B10DHODHTRPM8SERPINE1
SCHEMBL8064144 0.99 KDM4E (0.53) KDM4EHSD17B10DHODHTRPM8SERPINE1
SCHEMBL8063207 0.91 GRIK1 (0.60) KDM4EDHODHTRPM8GRIK1PPARG
SCHEMBL8063210 0.91 GRIK1 (0.60) KDM4EDHODHTRPM8GRIK1PPARG
SCHEMBL18019022 0.90 KDM4E (0.51) KDM4EHSD17B10DHODHTRPM8SERPINE1
SCHEMBL8058422 0.90 GRIK1 (0.61) KDM4EDHODHTRPM8GRIK1PPARG
SCHEMBL8058427 0.90 GRIK1 (0.61) KDM4EDHODHTRPM8GRIK1PPARG
SCHEMBL8059511 0.88 KDM4E (0.62) KDM4EHSD17B10DHODHTRPM8SERPINE1
SCHEMBL8059517 0.88 KDM4E (0.62) KDM4EHSD17B10DHODHTRPM8SERPINE1

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