SCHEMBL28759062

SCHEMBL28759062

O=C(O)Cc1ccc(Cc2ccc(Br)c(OCc3ccccc3)c2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.51
FFAR4 Q5NUL3 2/20 0.51
PTGER1 P34995 4/20 0.45
PTGER4 P35408 1/20 0.45
PTGER3 P43115 1/20 0.45
PTGER2 P43116 1/20 0.45
RXRG P48443 3/20 0.42
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
S1PR5 Q9H228 1/20 0.42
CFD P00746 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
F11 P03951 1/20 0.41
KLKB1 P03952 1/20 0.41
F7 P08709 1/20 0.41
TPSB2 P20231 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
FOLH1 Q04609 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
SCHEMBL28759064 0.85 FFAR4 (0.50) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL22918245 0.83 PTGER1 (0.50) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL29592409 0.76 FFAR1 (0.54) FFAR1FFAR4CFDNPC1MRGPRX4
SCHEMBL4840328 0.76 FFAR1 (0.54) FFAR1FFAR4CFDNPC1MRGPRX4
SCHEMBL4419617 0.75 KDM1A (0.52) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL3954112 0.74 S1PR5 (0.60) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL29510818 0.74 S1PR5 (0.60) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL21043378 0.74 FFAR4 (0.47) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL3799950 0.73 RXRB (0.49) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL2395263 0.73 PTGER1 (0.56) FFAR1FFAR4PTGER1PTGER4PTGER3

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
CN-114616226-A Pyridine derivatives as TMEM16A modulators for the treatment of respiratory disorders TMEM16A有限公司 2022-06-10 CN disclosed