SCHEMBL9724515

SCHEMBL9724515

CCCCCCCCCCCCO[C@@H]1[C@@H](O)[C@H](O)CO[C@H]1S

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 9/20 0.53
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TNF P01375 1/20 0.37
GBA2 Q9HCG7 7/20 0.36

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
SCHEMBL11100106 0.84 GBA1 (0.56) GBA1SPHK2SPHK1ALDH1A1TDP1
SCHEMBL11108673 0.84 GBA1 (0.56) GBA1SPHK2SPHK1ALDH1A1TDP1
SCHEMBL11098585 0.84 GBA1 (0.56) GBA1SPHK2SPHK1ALDH1A1TDP1
SCHEMBL3960989 0.83 GBA1 (0.53) GBA1SPHK2SPHK1ALDH1A1TDP1
SCHEMBL11097329 0.78 GBA1 (0.46) GBA1SPHK2SPHK1GBA2
SCHEMBL2044382 0.78 GBA1 (0.46) GBA1SPHK2SPHK1GBA2
SCHEMBL11108682 0.78 GBA1 (0.50) GBA1SPHK2SPHK1ALDH1A1TDP1
SCHEMBL11098588 0.78 GBA1 (0.50) GBA1SPHK2SPHK1ALDH1A1TDP1
SCHEMBL11097755 0.78 GBA1 (0.50) GBA1SPHK2SPHK1ALDH1A1TDP1
SCHEMBL15618283 0.78 GBA1 (0.50) GBA1SPHK2SPHK1ALDH1A1TDP1

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-5122187-A Colorants, propellants, and liquid crystal binder; thermal ink jet printing XEROX CORPORATION (US) 1992-06-16 US claimed
US-5122187-A Colorants, propellants, and liquid crystal binder; thermal ink jet printing XEROX CORPORATION (US) 1992-06-16 US disclosed
US-5006170-A Thermal ink jet printing, binders, propellants XEROX CORPORATION (US) 1991-04-09 US disclosed
EP-0404493-A2 Hot melt ink compositions XEROX CORPORATION (US) 1990-12-27 EP disclosed