SCHEMBL6686448

SCHEMBL6686448

O=C(O)CCCc1cc(Cl)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.51
FFAR1 O14842 1/20 0.48
F13A1 P00488 3/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
ACLY P53396 2/20 0.43
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 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
SCHEMBL14430375 0.89 FFAR1 (0.54) FFAR4FFAR1MRGPRX4HDAC6POLB
SCHEMBL31584797 0.87 FFAR1 (0.52) FFAR4FFAR1F13A1ACLY
SCHEMBL8240809 0.84 PSEN1 (0.47) FFAR4FFAR1F13A1PSEN1PSEN2
SCHEMBL4778926 0.82 ACLY (0.58) FFAR4FFAR1ACLY
SCHEMBL26679325 0.81 SMN1; SMN2 (0.50) F13A1MRGPRX4ACLYHDAC3MAPK1
SCHEMBL18780574 0.81 F13A1 (0.51) F13A1ACLYPOLB
SCHEMBL12713147 0.81 F13A1 (0.43) FFAR1F13A1ACLYHDAC3MAPK1
SCHEMBL341990 0.81 NPSR1 (0.50) FFAR1F13A1MRGPRX4SMN1; SMN2POLB
SCHEMBL19584858 0.81 NPC1 (0.45) FFAR4FFAR1F13A1HDAC3MAPK1
SCHEMBL28629620 0.81 F13A1 (0.43) FFAR4FFAR1F13A1HDAC3MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004071389-A2 NON-STEROIDAL INFALMMATION INHIBITORS GLAXO GROUP LIMITED (GB) 2004-08-26 WO disclosed