SCHEMBL22912282

SCHEMBL22912282

CCCC(OCc1ccccc1F)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.43
TACR1 P25103 1/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
MCL1 Q07820 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAOB P27338 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CASR P41180 1/20 0.36
RXRA P19793 1/20 0.35
HNF4A P41235 1/20 0.35
SLC6A4 P31645 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
FFAR1 O14842 1/20 0.35
BCHE P06276 1/20 0.35
TDO2 P48775 1/20 0.35

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
SCHEMBL19805918 0.84 IDO1 (0.43) IDO1TACR1CHRNB2CHRNA4MCL1
SCHEMBL28551552 0.82 IDO1 (0.41) IDO1TACR1CHRNB2CHRNA4ALDH1A1
SCHEMBL1836955 0.81 IDO1 (0.43) IDO1CHRNB2CHRNA4CASRFFAR1
SCHEMBL1838675 0.77 CASR (0.35) IDO1CHRNB2CHRNA4MCL1CASR
SCHEMBL21625269 0.76 CASR (0.44) HTTCASRSLC6A4FFAR1
SCHEMBL21019820 0.76 MEN1 (0.36) IDO1MCL1ALDH1A1MAOBSMN1; SMN2
SCHEMBL22912249 0.75 ALDH1A1 (0.36) IDO1ALDH1A1MAOBHTTSMN1; SMN2
SCHEMBL19806014 0.74 FNTA (0.36) IDO1MCL1ALDH1A1MAOBRXRA
SCHEMBL1835166 0.74 CHRNB2 (0.37) CHRNB2CHRNA4HTTSMN1; SMN2CASR
SCHEMBL22912308 0.74 ALDH1A1 (0.40) IDO1CHRNB2CHRNA4ALDH1A1MAOB

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
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 EP disclosed