SCHEMBL8185674

SCHEMBL8185674

CCCCCC1OC1COC

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.41
ALDH1A1 P00352 2/20 0.35
SPHK2 Q9NRA0 5/20 0.34
EPHX1 P07099 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.30
FASN P49327 1/20 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
SCHEMBL8183743 0.98 SPHK1 (0.43) SPHK1ALDH1A1SPHK2EPHX1TDP1
SCHEMBL28114889 0.98 SPHK1 (0.43) SPHK1ALDH1A1SPHK2EPHX1TDP1
SCHEMBL51206 0.83 ALDH1A1 (0.46) SPHK1ALDH1A1SPHK2EPHX1POLB
SCHEMBL8857990 0.83 SPHK1 (0.41) SPHK1ALDH1A1SPHK2EPHX1TDP1
SCHEMBL11809342 0.81 ALDH1A1 (0.50) SPHK1ALDH1A1SPHK2EPHX1POLB
SCHEMBL8855829 0.81 ALDH1A1 (0.50) SPHK1ALDH1A1SPHK2EPHX1POLB
SCHEMBL8727383 0.81 ALDH1A1 (0.50) SPHK1ALDH1A1SPHK2EPHX1POLB
SCHEMBL11689950 0.81 ALDH1A1 (0.50) SPHK1ALDH1A1SPHK2EPHX1POLB
SCHEMBL5685367 0.81 ALDH1A1 (0.50) SPHK1ALDH1A1SPHK2EPHX1POLB
SCHEMBL11688324 0.81 ALDH1A1 (0.50) SPHK1ALDH1A1SPHK2EPHX1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6048991-A Preparation of epoxides BASF AKTIENGESELLSCHAFT (DE) 2000-04-11 US disclosed
US-5916430-A Preparation of epoxides BASF AKTIENGESELLSCHAFT (DE) 1999-06-29 US disclosed
EP-0485783-B1 Process for producing epoxy compounds BASF AG (DE) 1995-01-11 EP disclosed
EP-0485783-A2 Process for producing epoxy compounds BASF Aktiengesellschaft (DE) 1992-05-20 EP disclosed