SCHEMBL8938784

SCHEMBL8938784

CC1(C)CCC(C)(Cc2ccc(Cl)cc2)C12CO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
CHRNA1 P02708 2/20 0.33
CHRNG P07510 2/20 0.33
CHRNB1 P11230 2/20 0.33
CHRNB2 P17787 2/20 0.33
SLC6A2 P23975 2/20 0.33
CHRNB4 P30926 2/20 0.33
SLC6A4 P31645 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CHRND Q07001 2/20 0.33
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SSTR1 P30872 1/20 0.32
SSTR4 P31391 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPA1 O75762 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
SCHEMBL9485827 0.77 TRPA1 (0.38) LMNASLC6A2SLC6A4MAPK1NPSR1
SCHEMBL15183934 0.73 LMNA (0.34) LMNAMAPK1NPSR1SSTR1SSTR4
SCHEMBL15120008 0.65 FPR2 (0.34) LMNAMAPK1NPSR1SSTR1SSTR4
SCHEMBL15183939 0.65 LMNA (0.38) LMNAMAPK1NPSR1SSTR1SSTR4
SCHEMBL8781346 0.65 LMNA (0.38) LMNAMAPK1NPSR1SSTR1SSTR4
SCHEMBL8937982 0.65 GRIN2D (0.33) LMNASLC6A4MAPK1NPSR1ALDH1A1
SCHEMBL15183935 0.64 SSTR1 (0.32) SSTR1SSTR4ALDH1A1
SCHEMBL15174100 0.64 SSTR1 (0.32) SSTR1SSTR4ALDH1A1
SCHEMBL11639984 0.63 TAAR1 (0.42)
SCHEMBL15173713 0.62 TRPA1 (0.37) LMNACHRNA1CHRNGCHRNB1CHRNB2

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
US-5504096-A PREVENTION OF DETERIORATION OF INDUSTRIAL MATERIALS KUREHA KAGAKU KOGYO K.K. (JP) 1996-04-02 US disclosed
US-5292764-A Azole derivatives for protecting industrial materials from bacteria KUREHA KAGAKU KOGYO K.K. (JP) 1994-03-08 US disclosed
EP-0341954-B1 BIOCIDAL COMPOSITIONS FOR INDUSTRIAL MATERIALS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-03-25 EP disclosed
EP-0341954-A1 Biocidal compositions for industrial materials KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-11-15 EP disclosed