SCHEMBL26829809

SCHEMBL26829809

OCCCN1CCC2CC1c1cc(-c3ccc(OC(F)(F)F)cc3)ccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.67
TMEM97 Q5BJF2 1/20 0.67
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PHKG2 P15735 1/20 0.38
RPS6KB1 P23443 1/20 0.38
MARK3 P27448 1/20 0.38
PRKCI P41743 1/20 0.38
CLK2 P49760 1/20 0.38
IRAK1 P51617 1/20 0.38
RPS6KA3 P51812 1/20 0.38
PRKCD Q05655 1/20 0.38
MAP4K2 Q12851 1/20 0.38
STK3 Q13188 1/20 0.38
CAMK2B Q13554 1/20 0.38
CAMK2G Q13555 1/20 0.38
CAMK2D Q13557 1/20 0.38
PKN2 Q16513 1/20 0.38

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
SCHEMBL30656584 1.00 SIGMAR1 (0.67) SIGMAR1TMEM97JAK2ROCK2PRKD3
SCHEMBL26665017 1.00 SIGMAR1 (0.67) SIGMAR1TMEM97JAK2ROCK2PRKD3
SCHEMBL30656558 0.93 SIGMAR1 (0.63) SIGMAR1TMEM97TRPC5HRH3
SCHEMBL26665038 0.93 SIGMAR1 (0.63) SIGMAR1TMEM97TRPC5HRH3
SCHEMBL26829181 0.93 SIGMAR1 (0.63) SIGMAR1TMEM97TRPC5HRH3
SCHEMBL26829074 0.86 SIGMAR1 (0.88) SIGMAR1TMEM97
SCHEMBL26665048 0.86 SIGMAR1 (0.88) SIGMAR1TMEM97
SCHEMBL30656608 0.86 SIGMAR1 (0.88) SIGMAR1TMEM97
SCHEMBL30656578 0.83 SIGMAR1 (0.58) SIGMAR1TMEM97ACHEFFAR4
SCHEMBL26665062 0.83 SIGMAR1 (0.58) SIGMAR1TMEM97ACHEFFAR4

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
WO-2023225563-A2 SELECTIVE SIGMA-2 RECEPTOR LIGANDS AS MODULATORS OF TMEM97 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-11-23 WO disclosed