SCHEMBL8523660

SCHEMBL8523660

CC1=C(C)C(C)C([Zr])=C1C.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
FFAR1 O14842 1/20 0.37
HDAC1 Q13547 1/20 0.37
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TAAR1 Q96RJ0 3/20 0.35
ATM Q13315 1/20 0.35
DAO P14920 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ACHE P22303 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
CYP2A6 P11509 1/20 0.34
HTR2A P28223 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7193826 0.76 MAOA (0.39) MAOBMAOAFFAR1KCNH2ALDH1A1
Hydrochloric Acid SCHEMBL4801145 0.75
SCHEMBL7031405 0.74 MAOB (0.37) MAOBMAOAFFAR1KCNH2ALDH1A1
SCHEMBL12506236 0.69 MAOB (0.72) MAOBMAOAFFAR1KCNH2ALDH1A1
SCHEMBL55138 0.69 MAOB (0.72) MAOBMAOAFFAR1KCNH2ALDH1A1
SCHEMBL9244022 0.69 CALM1 (0.42) TAAR1ATMDAO
SCHEMBL3690826 0.69 CALM1 (0.42) TAAR1ATMDAO
SCHEMBL3022199 0.68 TDP1 (0.59) MAOBMAOAFFAR1KCNH2ALDH1A1
SCHEMBL12506243 0.68 TDP1 (0.59) MAOBMAOAFFAR1KCNH2ALDH1A1
Ethane SCHEMBL21049496 0.67 ALDH1A1 (0.61) MAOBMAOAKCNH2ALDH1A1HPGD

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
EP-0763550-B1 Ethylenic polymerization catalyst SHOWA DENKO KK (JP) 1999-05-06 EP disclosed
US-5723399-A CHROMIUM COMPOUND, ALUMOXANE, TRANSITION METAL COMPOUND SHOWA DENKO K.K. (JP) 1998-03-03 US disclosed
EP-0763550-A1 Ethylenic polymerization catalyst SHOWA DENKO KABUSHIKI KAISHA (JP) 1997-03-19 EP disclosed