SCHEMBL9733318

SCHEMBL9733318

CC(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)C2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
HSD17B1 P14061 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
PGR P06401 2/20 0.33
PDK2 Q15119 1/20 0.33
F10 P00742 7/20 0.33
HRH4 Q9H3N8 1/20 0.33
TDP2 O95551 1/20 0.33
TLK2 Q86UE8 1/20 0.32
RIPK2 O43353 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9734695 0.91 KMT2A (0.40) MAPTNR1H2NR1H3PDK2F10
SCHEMBL10433122 0.90 F10 (0.40) PDK2F10HRH4
SCHEMBL10433092 0.87 F10 (0.36) F10RIPK2
SCHEMBL9733195 0.86 HRH4 (0.34) F10HRH4
SCHEMBL9734404 0.85 MAOA (0.43) NPC1RAB9AMAPTPDK2F10
SCHEMBL9733799 0.85 MAPT (0.40) RAB9AMAPT
SCHEMBL9733434 0.82 SLC6A2 (0.39) F10HRH4
SCHEMBL9733018 0.82 HRH4 (0.34) PGRHRH4L3MBTL1
SCHEMBL9733913 0.82 TDP1 (0.37) RAB9AMAPTF10HRH4TDP2
SCHEMBL9734559 0.81 RXFP1 (0.39) MAPTHRH4TDP2L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5132307-A TETRALIN COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-21 US disclosed
EP-0368160-A1 Tetralin derivatives MERCK PATENT GmbH (DE) 1990-05-16 EP disclosed