SCHEMBL8185353

SCHEMBL8185353

CCCCCC1OC1COCI

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 5/20 0.34
SPHK2 Q9NRA0 4/20 0.33
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 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
SCHEMBL8184616 0.98 SPHK1 (0.37) SPHK1SPHK2ALDH1A1TDP1EPHX1
SCHEMBL8857990 0.86 SPHK1 (0.41) SPHK1SPHK2ALDH1A1TDP1EPHX1
SCHEMBL5704471 0.81 SMN1; SMN2 (0.34) SPHK1SPHK2ALDH1A1TDP1
SCHEMBL51206 0.78 ALDH1A1 (0.46) SPHK1SPHK2ALDH1A1EPHX1
SCHEMBL8185674 0.78 SPHK1 (0.41) SPHK1SPHK2ALDH1A1TDP1EPHX1
SCHEMBL7110587 0.76 ALDH1A1 (0.50) SPHK1SPHK2ALDH1A1EPHX1
SCHEMBL11809342 0.76 ALDH1A1 (0.50) SPHK1SPHK2ALDH1A1EPHX1
SCHEMBL11688324 0.76 ALDH1A1 (0.50) SPHK1SPHK2ALDH1A1EPHX1
SCHEMBL8855730 0.76 ALDH1A1 (0.50) SPHK1SPHK2ALDH1A1EPHX1
SCHEMBL5685367 0.76 ALDH1A1 (0.50) SPHK1SPHK2ALDH1A1EPHX1

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-6048991-A Preparation of epoxides BASF AKTIENGESELLSCHAFT (DE) 2000-04-11 US disclosed