SCHEMBL11520291

SCHEMBL11520291

COC(=O)C1CCCc2c(-c3ccccc3)cc(C)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
P2RX7 Q99572 1/20 0.36
RAB9A P51151 3/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
NR2F2 P24468 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
POLQ O75417 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDCD1 Q15116 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
SCHEMBL526454 0.79 ACHE (0.49) ALDH1A1KDM4EMAPTMAPK1TDP1
SCHEMBL27923637 0.78 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTMAPK1TDP1
SCHEMBL11520585 0.76 HRH3 (0.39) ALDH1A1KDM4EMAPTMAPK1TDP1
SCHEMBL10286349 0.75 ACHE (0.45) ALDH1A1KDM4EMAPTMAPK1TDP1
SCHEMBL11524271 0.70 SIRT1 (0.43) ALDH1A1KDM4EMAPTMAPK1L3MBTL1
SCHEMBL11524267 0.70 BDKRB1 (0.39) ALDH1A1KDM4EMAPTSLC6A2SLC6A4
SCHEMBL10287027 0.68 ADORA1 (0.39) ALDH1A1KDM4EMAPTHPGDPDCD1
SCHEMBL11522413 0.67 P2RX7 (0.34) ALDH1A1KDM4EMAPTP2RX7RAB9A
SCHEMBL526243 0.67 KDM4E (0.45) ALDH1A1KDM4EMAPTL3MBTL1SLC6A2
SCHEMBL10286055 0.67 HRH2 (0.41) ALDH1A1KDM4EMAPTMAPK1L3MBTL1

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-4160094-A Tetrahydroquinoline derivatives JOHN WYETH & BROTHER LIMITED (GB) 1979-07-03 US disclosed