SCHEMBL28062874

SCHEMBL28062874

Cn1c(C(F)(F)F)c(C(=O)O)c2cc(OC(F)(F)F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
ELANE P08246 1/20 0.42
DHODH Q02127 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
KCNQ3 O43525 6/20 0.41
KCNQ2 O43526 6/20 0.41
KDM4E B2RXH2 4/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.39
PIM1 P11309 1/20 0.39
PTGER4 P35408 1/20 0.38

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
SCHEMBL28062756 0.90 HIF1A (0.41) ALOX5ELANEDHODHPOLBKCNQ3
SCHEMBL28062885 0.80 EGFR (0.46) PIM1
SCHEMBL21430571 0.80 POLB (0.48) ALOX5ELANEPOLBHTTKDM4E
SCHEMBL5241382 0.77 EGFR (0.48) HTTKDM4EGAAHSD17B10
SCHEMBL17469272 0.76 MAPT (0.45) POLBHTTKDM4EGAAHSD17B10
SCHEMBL7490158 0.76 EGFR (0.58) POLBHTTKDM4E
SCHEMBL15473666 0.73 HIF1A (0.49)
SCHEMBL10253811 0.71 KDM4E (0.69) KCNQ3KCNQ2KDM4EGAAHSD17B10
SCHEMBL9287885 0.71 KDM4E (0.43) ALOX5ELANEKCNQ3KCNQ2KDM4E
SCHEMBL28062862 0.71 ENPP2 (0.43) GAAHSD17B10

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-105646327-A 2-perfluoroalkyl indole derivative and synthesis method thereof 上海大学 2016-06-08 CN disclosed