SCHEMBL24322924

SCHEMBL24322924

CCCC1CCCC(CN)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
EPHX2 P34913 1/20 0.34
NOS3 P29474 5/20 0.34
NOS1 P29475 5/20 0.34
NOS2 P35228 5/20 0.34
NCF1 P14598 1/20 0.33
CHRNA7 P36544 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 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
SCHEMBL14616045 1.00 CYP1A2 (0.38) CYP1A2EPHX2NOS3NOS1NOS2
SCHEMBL22810848 0.91 EPHX2 (0.37) CYP1A2EPHX2NOS3NOS1NOS2
SCHEMBL15185709 0.91 EPHX2 (0.37) CYP1A2EPHX2NOS3NOS1NOS2
SCHEMBL10972704 0.88 CYP1A2 (0.46) CYP1A2NOS3NOS1NOS2CHRNA7
SCHEMBL29065443 0.83 CYP1A2 (0.52) CYP1A2NOS3NOS1NOS2CHRNA7
SCHEMBL1703647 0.83 EPHX2 (0.39) EPHX2NCF1SIGMAR1
SCHEMBL26661 0.83 EPHX2 (0.39) EPHX2NCF1SIGMAR1
SCHEMBL7135021 0.83 EPHX2 (0.39) EPHX2NCF1SIGMAR1
SCHEMBL1703645 0.83 EPHX2 (0.39) EPHX2NCF1SIGMAR1
SCHEMBL467954 0.83 EPHX2 (0.39) EPHX2NCF1SIGMAR1

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
EP-3362461-B1 MRNA CAP ANALOGS WITH MODIFIED PHOSPHATE LINKAGE MODERNATX INC (US) 2022-03-16 EP disclosed