SCHEMBL3377120

SCHEMBL3377120

CC1=C(C)C(C)(C)C([Ti]Oc2ccccc2-c2ccccc2-c2ccccc2)=C1C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.31
ADRA2B P18089 3/20 0.31
ADRA2C P18825 3/20 0.31
MAOA P21397 3/20 0.31
MAOB P27338 3/20 0.31
NISCH Q9Y2I1 1/20 0.31
HTR7 P34969 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
Hydrochloric Acid SCHEMBL3625539 0.93 MAPK1 (0.36) ADRA2AADRA2BADRA2CMAOAMAOB
Hydrochloric Acid SCHEMBL3615426 0.78 MEN1 (0.33) NISCH
SCHEMBL3700605 0.74 MAPT (0.38) NISCH
Hydrochloric Acid SCHEMBL461532 0.73 NISCH (0.32) NISCH
Biphenyl SCHEMBL821668 0.70 ALDH1A1 (0.36)
Hydrochloric Acid SCHEMBL392239 0.67 LMNA (0.31)
SCHEMBL3611287 0.66 HTR7 (0.35) HTR7
SCHEMBL370497 0.66 HTR7 (0.35) HTR7
Hydrochloric Acid SCHEMBL346593 0.65 ADRA2A (0.34) ADRA2AADRA2BADRA2CMAOAMAOB
Hydrochloric Acid SCHEMBL3625537 0.65 HTR7 (0.34) ADRA2AADRA2BADRA2CMAOAMAOB

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-20100120981-A1 ETHYLENE COPOLYMER AND A METHOD OF PREPARING THE SAME SABIC SK NEXLENE COMPANY PTE. LTD. (SG) 2010-05-13 US disclosed
WO-2010030145-A2 ETHYLENE COPOLYMER AND A METHOD OF PREPARING THE SAME SK ENERGY CO., LTD. (KR) 2010-03-18 WO disclosed