SCHEMBL8086746

SCHEMBL8086746

CCCCC1=C(Cc2ccccc2)C=C(C)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 1/20 0.36
ORAI2 Q96SN7 1/20 0.36
ORAI3 Q9BRQ5 1/20 0.36
TRPV6 Q9H1D0 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HSD11B1 P28845 1/20 0.35
HPGD P15428 3/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TLR8 Q9NR97 1/20 0.34
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TLR7 Q9NYK1 2/20 0.33
HDAC3 O15379 1/20 0.33
KCNH2 Q12809 1/20 0.33
CALM1 P0DP23 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 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
SCHEMBL8086710 0.90 CALM1 (0.35) SIGMAR1ALDH1A1CALM1LMNAMAPT
SCHEMBL8087972 0.84 TLR7 (0.36) ORAI1ORAI2ORAI3TRPV6SIGMAR1
SCHEMBL8086770 0.83 TP53 (0.40) POLBCALM1LMNAMAPTTSHR
SCHEMBL8087990 0.83 SIGMAR1 (0.35) ORAI1ORAI2ORAI3TRPV6SIGMAR1
SCHEMBL8090899 0.76 SIGMAR1 (0.37) SIGMAR1ALDH1A1SMN1; SMN2KCNH2CALM1
SCHEMBL8079685 0.75 SIGMAR1 (0.36) SIGMAR1HSD11B1HPGDALDH1A1TLR8
SCHEMBL8090890 0.73 TP53 (0.36) SIGMAR1ALDH1A1CALM1LMNAMAPT
SCHEMBL8087987 0.72 SIGMAR1 (0.39) ORAI1ORAI2ORAI3TRPV6SIGMAR1
SCHEMBL8090979 0.71 CALM1 (0.42) ALDH1A1CALM1GAAMAPT
SCHEMBL8079504 0.70 SCD (0.33) HPGD

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