SCHEMBL11173291

SCHEMBL11173291

O=C(O)c1cccc(COc2cccc(F)c2)n1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.63
NR4A2 P43354 3/20 0.56
PDE5A O76074 3/20 0.49
CYSLTR1 Q9Y271 2/20 0.49
GPBAR1 Q8TDU6 1/20 0.49
KCNH2 Q12809 1/20 0.49
PPARG P37231 1/20 0.47
CYSLTR2 Q9NS75 1/20 0.47
GRM5 P41594 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
SCHEMBL11188667 0.85 MRGPRX4 (0.78) MRGPRX4PDE5ACYSLTR1GPBAR1KCNH2
SCHEMBL22480814 0.82 MRGPRX4 (0.68) MRGPRX4PDE5ACYSLTR1GPBAR1KCNH2
SCHEMBL22481085 0.77 MRGPRX4 (1.00) MRGPRX4NR4A2PDE5AKCNH2
SCHEMBL3564550 0.77 MRGPRX4 (0.74) MRGPRX4PDE5AGPBAR1KCNH2
SCHEMBL27703908 0.77 MRGPRX4 (0.74) MRGPRX4PDE5AGPBAR1KCNH2
SCHEMBL12752870 0.77 GRM5 (0.56) GRM5
SCHEMBL15932121 0.77 NR4A2 (0.51) MRGPRX4NR4A2
SCHEMBL4500448 0.77 NR4A2 (0.61) MRGPRX4NR4A2
SCHEMBL22480681 0.76 MRGPRX4 (0.65) MRGPRX4PDE5A
SCHEMBL11375748 0.76 MRGPRX4 (0.59) MRGPRX4

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-4390543-A Substituted pyridine methyl esters of 2-isopropyl-2-(4-chlorophenyl) acetic acid and their use as insecticides MALHOTRA SUDARSHAN K 1983-06-28 US disclosed
US-4281133-A INSECTICIDES THE DOW CHEMICAL COMPANY (US) 1981-07-28 US disclosed
US-4262001-A MITICIDES, PARASITICIDES, LARVICIDES THE DOW CHEMICAL COMPANY (US) 1981-04-14 US disclosed
US-4258048-A Substituted pyridine methyl esters of tetramethyl cyclopropane carboxylic acids and their use as insecticides THE DOW CHEMICAL COMPANY (US) 1981-03-24 US disclosed
US-4256893-A INSECTICIDES THE DOW CHEMICAL COMPANY (US) 1981-03-17 US disclosed
US-4228172-A Substituted pyridine methyl esters of 2-isopropyl-2-(4-chlorophenyl)acetic acid and their use as insecticides THE DOW CHEMICAL COMPANY (US) 1980-10-14 US disclosed
US-4221799-A MITICIDES THE DOW CHEMICAL (US) 1980-09-09 US disclosed
US-4163787-A Substituted pyridine methyl esters of cyclopropane carboxylic acids and their use as insecticides THE DOW CHEMICAL COMPANY (US) 1979-08-07 US disclosed