SCHEMBL28229124

SCHEMBL28229124

Cc1ccc2c(c1)c1cc(C)ccc1n2CCC=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 2/20 0.47
RORC P51449 2/20 0.47
RORB Q92753 2/20 0.47
PGR P06401 1/20 0.47
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 3/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.40
APAF1 O14727 1/20 0.40
PKM P14618 1/20 0.40
IDO1 P14902 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
MCL1 Q07820 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGER4 P35408 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL6784901 0.80 HTT (0.38) RORARORCRORBPGRKDM4E
SCHEMBL28228399 0.79 MAPT (0.47) MAPTHTTMAPK1NPSR1KMT2A
SCHEMBL28289591 0.79 KDM4E (0.46) KDM4EALDH1A1
SCHEMBL13304767 0.77 RORA (0.55) RORARORCRORBPGRKDM4E
SCHEMBL19417174 0.77 HRH1 (0.37) RORARORCRORBPGRKDM4E
SCHEMBL15854790 0.75 RORA (0.47) RORARORCRORBPGRKDM4E
SCHEMBL5717794 0.74 MIF (0.58) POLBL3MBTL1MAPTHTTRAB9A
SCHEMBL12374352 0.74 RORA (0.69) RORARORCRORBPGRKDM4E
SCHEMBL16156848 0.74 KDM4E (0.73) RORARORCRORBPGRKDM4E
SCHEMBL14261679 0.73 RORA (0.46) RORARORCRORBPGRKDM4E

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-108329253-A Preceding neurogenic compounds 得克萨斯州大学系统董事会 2018-07-27 CN disclosed