SCHEMBL9607399

SCHEMBL9607399

CCC(=O)c1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 1/20 0.41
▸ SLC6A4 P31645 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ PDE2A O00408 1/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ MAOB P27338 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ SRD5A2 P31213 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ DAO P14920 1/20 0.38
▸ NLRP3 Q96P20 1/20 0.38
▸ PPARA Q07869 1/20 0.37

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
SCHEMBL28175829 0.86 PDE2A (0.43) EPHX2PDE2AMAOBPOLB
SCHEMBL9607170 0.80 RAB9A (0.51) SLC6A4EPHX2NR1H4HRH3PPARA
SCHEMBL9607053 0.79 MRGPRX4 (0.55) SLC6A4EPHX2NR1H4MRGPRX4NLRP3
SCHEMBL12780426 0.77 FFAR4 (0.44) EPHX2PDE2APOLB
SCHEMBL8514972 0.75 SLC6A4 (0.46) SLC6A4PDE2ATSHRDAO
SCHEMBL27837804 0.75 HSP90AB1 (0.60) POLBTSHR
SCHEMBL9607440 0.74 DAO (0.40) MRGPRX4DAO
SCHEMBL9607438 0.74 PDE2A (0.52) BCL2L1SLC6A4EPHX2PDE2AEPHX1
SCHEMBL27719541 0.73 THRB (0.45) EPHX2POLBMRGPRX4
SCHEMBL9607166 0.73 DAO (0.42) SLC6A4POLBTSHRDAONLRP3

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-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 — — WO disclosed
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