SCHEMBL8614512

SCHEMBL8614512

CCCCC1=CC(c2ccccc2)=C([Hf])C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
HSD11B1 P28845 2/20 0.36
GPR84 Q9NQS5 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
ADORA1 P30542 2/20 0.32
PSMB5 P28074 1/20 0.31
PTGS2 P35354 1/20 0.31
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
SOAT1 P35610 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL8616065 0.83 TP53 (0.32) HPGDSMN1; SMN2L3MBTL1
SCHEMBL8087970 0.82 HSD11B1 (0.36) TSHRHSD11B1GPR84BCHEACHE
Hydrochloric Acid SCHEMBL8361429 0.75 HSD11B1 (0.32) HSD11B1
Hydrochloric Acid SCHEMBL8359875 0.75 HSD11B1 (0.32) HSD11B1
SCHEMBL8619097 0.72 NOS2 (0.31) HPGD
SCHEMBL8613272 0.72
SCHEMBL8615353 0.71 HSD11B1 (0.36) TSHRHSD11B1GPR84ADORA1PSMB5
SCHEMBL8619470 0.70
SCHEMBL8620200 0.70
Hydrochloric Acid SCHEMBL8618735 0.68 ALDH1A1 (0.31)

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 4 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
EP-0837866-A1 PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OR THE RACEMATE OF AN ANSA-METALLOCENE COMPLEX OR MIXTURES THEREOF INTO ONE OF ITS ENANTIOMERS BASF AKTIENGESELLSCHAFT (DE) 1998-04-29 EP disclosed
WO-1997003081-A1 PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OR THE RACEMATE OF AN ANSA-METALLOCENE COMPLEX OR MIXTURES THEREOF INTO ONE OF ITS ENANTIOMERS BASF AKTIENGESELLSCHAFT (DE) 1997-01-30 WO 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