SCHEMBL11114037

SCHEMBL11114037

Cc1c(C)n(C)c2c(OCc3ccccc3)cccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
MAPK1 P28482 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HTR6 P50406 1/20 0.45
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
PTGER1 P34995 1/20 0.43
LIPE Q05469 1/20 0.43
EDNRA P25101 1/20 0.42
MAPK14 Q16539 1/20 0.42
BRD4 O60885 2/20 0.41
HTR1A P08908 2/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
FABP4 P15090 1/20 0.41
DRD2 P14416 1/20 0.41
MEN1 O00255 2/20 0.40

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
SCHEMBL19612191 0.75 MAPT (1.00) MAPTMAPK1TDP1L3MBTL1HTR6
SCHEMBL9528588 0.72 L3MBTL1 (0.53) MAPTMAPK1TDP1L3MBTL1ADORA3
SCHEMBL30257342 0.71 ADORA1 (0.56) MAPTMAPK1TDP1L3MBTL1ADORA3
SCHEMBL25079149 0.71 HTR3A (0.48) MAPTMAPK1TDP1L3MBTL1HTR6
SCHEMBL2880443 0.71 MAPT (0.81) MAPTMAPK1TDP1L3MBTL1HTR6
SCHEMBL9352534 0.71 CTSV (0.51) MAPTMAPK1TDP1L3MBTL1ADORA3
SCHEMBL13062563 0.71 MAOB (0.50) MAPTMAPK1TDP1L3MBTL1ADORA3
SCHEMBL1093046 0.70 MAPK1 (0.53) MAPTMAPK1TDP1L3MBTL1HTR6
SCHEMBL9007487 0.69 MAPT (0.80) MAPTMAPK1TDP1L3MBTL1HTR6
SCHEMBL1253794 0.69 MAPT (0.85) MAPTMAPK1TDP1L3MBTL1HTR6

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-4428962-A Indoles in treatment of peptic ulcers SCHERING CORPORATION (US) 1984-01-31 US claimed
US-4428962-A Indoles in treatment of peptic ulcers SCHERING CORPORATION (US) 1984-01-31 US disclosed