SCHEMBL8615237

SCHEMBL8615237

CCCCc1ccc(C2=Cc3ccccc3[CH]2)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.36
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
TYR P14679 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
CNR1 P21554 4/20 0.32
TLR8 Q9NR97 1/20 0.31
MAPT P10636 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
SCHEMBL8614029 0.91 CNR2 (0.36) CNR2ELANECTSGCNR1
SCHEMBL8823285 0.78 CNR2 (0.48) CNR2TYRLIPGTLR8MAPT
SCHEMBL30537734 0.78 CNR2 (0.48) CNR2TYRLIPGTLR8MAPT
SCHEMBL8618142 0.74 PSMB5 (0.38) CNR1TLR8MAPT
SCHEMBL2974126 0.74 LIPG (0.33) NR1H2NR1H3TYRLIPGTLR8
SCHEMBL216311 0.72 NR1H2 (0.33) NR1H2NR1H3
SCHEMBL3677393 0.72 LIPG (0.53) CNR2NR1H2NR1H3TYRLIPG
SCHEMBL2969926 0.72 LIPG (0.31) LIPGTLR8
SCHEMBL2967500 0.72 LIPG (0.31) LIPGTLR8
SCHEMBL2974085 0.72 LIPG (0.31) LIPGTLR8

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
EP-0837865-A1 PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OF AN ANSA-METALLOCENE COMPLEX INTO THE CHIRAL RACEMIC FORM BASF AKTIENGESELLSCHAFT (DE) 1998-04-29 EP disclosed
WO-1997003080-A1 PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OF AN ANSA-METALLOCENE COMPLEX INTO THE CHIRAL RACEMIC FORM BASF AKTIENGESELLSCHAFT (DE) 1997-01-30 WO disclosed