SCHEMBL12745899

SCHEMBL12745899

O=C(CNC(=O)O)COc1c(F)c(F)cc(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ MAPK1 P28482 1/20 0.44
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CASP3 P42574 10/20 0.38
▸ CASP6 P55212 3/20 0.38
▸ CASP8 Q14790 3/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ CTSV O60911 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSH P09668 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ CTSF Q9UBX1 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
SCHEMBL12716162 0.86 KDM4E (0.50) KDM4EMAPTALDH1A1HTTMAPK1
SCHEMBL3216951 0.82 MAPT (0.50) KDM4EMAPTALDH1A1HTTMAPK1
SCHEMBL18215408 0.82 KDM4E (0.49) KDM4EMAPTALDH1A1HTTMAPK1
SCHEMBL3410954 0.81 MAPT (0.48) KDM4EMAPTALDH1A1HTTMAPK1
SCHEMBL13382341 0.81 TSHR (0.56) KDM4EMAPTALDH1A1HTTMAPK1
SCHEMBL18678090 0.79 KDM4E (0.44) KDM4EMAPTALDH1A1HTTMAPK1
SCHEMBL22753433 0.79 KDM4E (0.47) KDM4EMAPTALDH1A1HTTMAPK1
SCHEMBL22307836 0.78 KDM4E (0.52) KDM4EMAPTALDH1A1HTTMAPK1
SCHEMBL22307835 0.78 MAPT (0.46) KDM4EMAPTALDH1A1HTTMAPK1
SCHEMBL29503795 0.77 MAPT (0.43) KDM4EMAPTALDH1A1HTTMAPK1

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
US-7923433-B2 Activity-based probes and methods of their preparation and use ACTIVX BIOSCIENCES, INC. (US) 2011-04-12 — — US disclosed
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