SCHEMBL8092853

SCHEMBL8092853

CC1=C(C(C)C)CC(Cc2ccccc2)=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
CALM1 P0DP23 1/20 0.37
TAAR1 Q96RJ0 4/20 0.35
SIGMAR1 Q99720 2/20 0.35
SLC18A2 Q05940 1/20 0.35
CYP2D6 P10635 1/20 0.35
POLB P06746 1/20 0.35
CAPN1 P07384 1/20 0.35
IDH1 O75874 1/20 0.35
PTPN1 P18031 1/20 0.34
SLC6A2 P23975 2/20 0.33
MAOA P21397 2/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SORT1 Q99523 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL8088069 0.77 TAAR1 (0.37) CNR2GPR55CALM1TAAR1SIGMAR1
SCHEMBL8090904 0.72 CALM1 (0.37) CALM1TAAR1CYP2D6IDH1SLC6A2
Hydrochloric Acid SCHEMBL18585839 0.72 CALM1 (0.37) CALM1TAAR1CYP2D6IDH1PTPN1
SCHEMBL8079473 0.71 CALM1 (0.35) CALM1TAAR1SIGMAR1MAOASORT1
SCHEMBL19102829 0.64 CALM1 (0.55) CALM1TAAR1SIGMAR1SLC18A2CYP2D6
SCHEMBL5082503 0.63 ACHE (0.46) CALM1MAOAMAOB
SCHEMBL1028381 0.63 CALM1 (0.42) CALM1TAAR1CYP2D6MAOASORT1
SCHEMBL8090979 0.63 CALM1 (0.42) CALM1IDH1PTPN1MAOASORT1
SCHEMBL6253349 0.63 CALM1 (0.42) CALM1TAAR1POLBMAOAMAOB
SCHEMBL2352229 0.62 CALM1 (0.52) CALM1TAAR1POLBSORT1ALDH1A1

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-6046346-A Production of alkali metal cyclopentadienylide and production of dihalobis (η-substituted-cyclopentadienyl) zirconium from alkali metal cyclopentadienylide HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2000-04-04 US disclosed
EP-0926150-A2 Production of alkali metal cyclopentadienylide and production of dihalobis(eta-substituted-cyclopentadienyl) zirconium from alkali metal cyclopentadienylide Honshu Chemical Industry Co. Ltd. (JP) 1999-06-30 EP disclosed