SCHEMBL24835232

SCHEMBL24835232

CCN(CCc1ccc(C(=O)NS(C)(=O)=O)cc1)CCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ PTGER4 P35408 1/20 0.37
▸ SCN9A Q15858 2/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ PLK1 P53350 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ FDPS P14324 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL24835175 0.86 HDAC8 (0.43) HDAC8HDAC6PTPN1L3MBTL1KDM4E
SCHEMBL24835223 0.81 L3MBTL1 (0.47) L3MBTL1ALDH1A1FDPS
SCHEMBL24835222 0.80 CYP4A11 (0.50) L3MBTL1KDM4EALDH1A1MAPK1LMNA
SCHEMBL8442436 0.73 SCN9A (0.48) HDAC8HDAC6PTPN1KDM4ESCN9A
SCHEMBL8380879 0.72 PTPN1 (0.40) PTPN1KDM4EPPARAPLK1HDAC3
SCHEMBL9826682 0.71 ALDH1A1 (0.55) KDM4EALDH1A1MAPK1LMNAMCHR1
SCHEMBL7973340 0.71 PLK1 (0.61) PTPN1KDM4ESCN9AALDH1A1PLK1
Hydrochloric Acid SCHEMBL8377317 0.71 PTPN1 (0.39) PTPN1KDM4EPPARAPLK1HDAC3
SCHEMBL10202053 0.70 SCN9A (0.50) HDAC8HDAC6PTPN1KDM4ESCN9A
SCHEMBL4184807 0.69 RARB (0.62) PTPN1KDM4ESCN9AALDH1A1PLK1

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-2023278698-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2023-01-05 — — WO disclosed
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