SCHEMBL21034603

SCHEMBL21034603

NCCC1CCCCC1CN

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
EPHX1 P07099 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
SCHEMBL201965 0.94 SIGMAR1 (0.40) SIGMAR1NOS3NOS1NOS2CA1
SCHEMBL18671006 0.88
SCHEMBL2484460 0.87 EPHX1 (0.36) SIGMAR1EPHX1
SCHEMBL277533 0.87 EPHX1 (0.36) SIGMAR1EPHX1
SCHEMBL727317 0.87 EPHX1 (0.36) SIGMAR1EPHX1
SCHEMBL18428581 0.87 EPHX1 (0.36) SIGMAR1EPHX1
SCHEMBL23803095 0.84 EPHX1 (0.35) SIGMAR1EPHX1
SCHEMBL8353641 0.84 EPHX1 (0.41) SIGMAR1EPHX1
Hydrochloric Acid SCHEMBL25267551 0.84 KDM4E (0.36) EPHX1
SCHEMBL5414023 0.84 EPHX1 (0.41) SIGMAR1EPHX1

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-2019101563-A1 MULTI-COMPONENT EPOXY RESIN COMPOUND WITH LEAKAGE INDICATOR, AND CURING COMPONENT FOR THE EPOXY RESIN COMPOUND HILTI AKTIENGESELLSCHAFT (LI) 2019-05-31 WO disclosed