SCHEMBL8748952

SCHEMBL8748952

COc1cc(O)cc(Oc2ccc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.49
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
RAB9A P51151 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 1/20 0.46
TTR P02766 1/20 0.46
PPOX P50336 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MRGPRX4 Q96LA9 3/20 0.43
SCN8A Q9UQD0 2/20 0.43
SCN10A Q9Y5Y9 2/20 0.43
ESRRA P11474 1/20 0.42
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPK1 P28482 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
SCHEMBL8749392 0.86 MRGPRX4 (0.49) FFAR1RAB9AMEN1TTRPPOX
SCHEMBL11238861 0.84 L3MBTL1 (0.68) FFAR1MAPTL3MBTL1RAB9ANPSR1
SCHEMBL11046440 0.83 L3MBTL1 (0.70) FFAR1MAPTL3MBTL1RAB9ANPSR1
SCHEMBL8684467 0.81 FFAR1 (0.61) FFAR1MAPTL3MBTL1RAB9AMEN1
SCHEMBL8749364 0.80 RAB9A (0.61) FFAR1MAPTL3MBTL1RAB9ANPSR1
SCHEMBL8749291 0.80 FFAR1 (0.49) FFAR1MAPTMEN1TTRPPOX
SCHEMBL11095176 0.78 FFAR1 (0.65) FFAR1MAPTL3MBTL1RAB9AMEN1
SCHEMBL10615136 0.78 FFAR1 (0.55) FFAR1RAB9AMEN1TTRPPOX
SCHEMBL32669004 0.78 FFAR1 (0.55) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL12937232 0.78 FFAR1 (0.58) FFAR1MAPTL3MBTL1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0768085-A1 ANTIBACTERIAL AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-04-16 EP disclosed
EP-0761215-A1 ANTIBACTERIAL AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP disclosed