SCHEMBL27763000

SCHEMBL27763000

OC1=CCN(Cc2ccccc2)C=C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.39
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ FUCA1 P04066 2/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ SRC P12931 1/20 0.35
▸ F2 P00734 1/20 0.34
▸ PLG P00747 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ CTSG P08311 1/20 0.34
▸ CMA1 P23946 1/20 0.34
▸ CTRC Q99895 1/20 0.34
▸ MC4R P32245 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ OPRL1 P41146 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
SCHEMBL27450196 0.79 SIGMAR1 (0.41) SIGMAR1GSK3AGSK3BMGLLDRD4
SCHEMBL27793468 0.79 SIGMAR1 (0.39) SIGMAR1GSK3AGSK3BMGLLDRD4
SCHEMBL8804597 0.79 SIGMAR1 (0.39) SIGMAR1GSK3AGSK3BMGLLDRD4
SCHEMBL25379874 0.79 LMNA (0.41) SIGMAR1GSK3AGSK3BMGLLF2
SCHEMBL27791901 0.78 GSK3A (0.37) SIGMAR1GSK3AGSK3BMGLLKMT2A
SCHEMBL10619250 0.78 SIGMAR1 (0.36) SIGMAR1GSK3AGSK3BMGLLFUCA1
Bromide SCHEMBL29099282 0.77 SIGMAR1 (0.38) SIGMAR1GSK3AGSK3BMGLLDRD4
SCHEMBL27827661 0.77 SIGMAR1 (0.38) SIGMAR1GSK3AGSK3BMGLLDRD4
Bromide SCHEMBL27466671 0.77 LMNA (0.40) SIGMAR1GSK3AGSK3BMGLLMC4R
SCHEMBL27807085 0.77 SIGMAR1 (0.42) SIGMAR1GSK3AGSK3BMGLLDRD4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-85105797-A The preparation of antimicrobial compounds — 1986-08-27 — — CN disclosed
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