SCHEMBL21980522

SCHEMBL21980522

CC1(COCC2CCCCC2)COC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
SPHK2 Q9NRA0 4/20 0.31
SPHK1 Q9NYA1 4/20 0.31
SLC1A3 P43003 2/20 0.30
SLC1A2 P43004 2/20 0.30
SLC1A1 P43005 2/20 0.30

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
SCHEMBL4278015 0.90 EPHX1 (0.38) EPHX1
SCHEMBL9934091 0.85 EPHX1 (0.34) EPHX1
SCHEMBL19501502 0.82 EPHX1 (0.36) EPHX1
SCHEMBL20279790 0.81 SPHK1 (0.32) SPHK1SLC1A3SLC1A2SLC1A1
SCHEMBL14534315 0.81 NCF1 (0.37) EPHX1
SCHEMBL21941800 0.79
SCHEMBL13168978 0.79 CYP1A2 (0.31)
SCHEMBL14507969 0.77 HRH3 (0.32)
SCHEMBL18946193 0.75
SCHEMBL21297282 0.75

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
US-20200166835-A1 METHOD OF PRODUCING SUBSTRATE WITH FINE UNEVEN PATTERN, RESIN COMPOSITION, AND LAMINATE MITSUI CHEMICALS, INC. (JP) 2020-05-28 US disclosed