SCHEMBL30218293

SCHEMBL30218293

CC(C(=O)O)c1c(-c2ccc(F)cc2)[nH]c2c(F)ccc(F)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.39
AKR1C2 P52895 6/20 0.39
CNR1 P21554 2/20 0.38
APP P05067 4/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
PTGS2 P35354 4/20 0.36
PTGS1 P23219 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
FABP2 P12104 1/20 0.36
TSHR P16473 1/20 0.36
AKR1C4 P17516 1/20 0.36

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
SCHEMBL28974900 0.83 FFAR1 (0.40) CNR1
SCHEMBL30007941 0.79 APOL1 (0.49)
SCHEMBL28974875 0.79 APOL1 (0.49)
SCHEMBL30218288 0.77 APOL1 (0.45) PTGS2
SCHEMBL28974919 0.74 CNR1 (0.54) CNR1CYP2C19CYP2C9CYP3A4PTGS2
SCHEMBL28974902 0.73 APP (0.35) AKR1C3AKR1C2APP
SCHEMBL7242332 0.72 PTGS2 (0.54) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL24098972 0.70 GPR17 (0.50)
SCHEMBL9592228 0.69 PTGS2 (0.71) AKR1C3AKR1C2APPCYP2C19CYP2C9
SCHEMBL28974886 0.68 APOL1 (0.35) CYP2C19CYP2C9CYP3A4MEN1KMT2A

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-115867532-A Inhibitors of APOL1 and uses thereof 弗特克斯药品有限公司 2023-03-28 CN disclosed