SCHEMBL7431199

SCHEMBL7431199

Sc1[c]c(OCc2ccccc2)ccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 7/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAOA P21397 2/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX5 P09917 1/20 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
SCHEMBL3058689 0.86 MAPT (0.50) MAPTL3MBTL1MAPK1TDP1MAOB
SCHEMBL6195407 0.78 MAOB (0.51) MAPTL3MBTL1MAPK1TDP1MAOB
SCHEMBL27556138 0.78 MAOB (0.52) MAPTL3MBTL1MAPK1TDP1MAOB
SCHEMBL17260912 0.78 MAPT (0.43) MAPTL3MBTL1MAPK1TDP1MAOB
SCHEMBL7285346 0.78 L3MBTL1 (0.52) MAPTL3MBTL1MAPK1TDP1MAOB
SCHEMBL17260899 0.78 MAPT (0.43) MAPTL3MBTL1MAPK1TDP1MAOB
SCHEMBL27716272 0.78 LMNA (0.48) MAPTL3MBTL1MAPK1TDP1MAOB
SCHEMBL27584953 0.75 MAOB (0.50) MAPTL3MBTL1MAPK1TDP1MAOB
SCHEMBL27898562 0.75 MAPT (0.44) MAPTL3MBTL1MAPK1TDP1MAOB
SCHEMBL9199334 0.74 NR4A2 (0.47) MAOBLMNACYP1A2PTGS1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760048-A TREATMENT OF STROKE AND NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 1998-06-02 US claimed
US-5760048-A TREATMENT OF STROKE AND NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 1998-06-02 US disclosed
US-5554767-A NERVOUS SYSTEM, CARDIOVASCULAR, AND BRAIN DISORDERS WARNER-LAMBERT COMPANY (US) 1996-09-10 US disclosed