SCHEMBL3960992

SCHEMBL3960992

CCCCCO[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 8/20 0.47
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.39
GBA2 Q9HCG7 8/20 0.37

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
SCHEMBL3960991 1.00 GBA1 (0.47) GBA1SPHK2SPHK1ALDH1A1TDP1
SCHEMBL15618347 0.98 GBA1 (0.50) GBA1SPHK2SPHK1ALDH1A1TDP1
SCHEMBL11098588 0.98 GBA1 (0.50) GBA1SPHK2SPHK1ALDH1A1TDP1
SCHEMBL11098591 0.98 GBA1 (0.50) GBA1SPHK2SPHK1ALDH1A1TDP1
SCHEMBL11083377 0.98 GBA1 (0.50) GBA1SPHK2SPHK1ALDH1A1TDP1
SCHEMBL11097755 0.98 GBA1 (0.50) GBA1SPHK2SPHK1ALDH1A1TDP1
SCHEMBL11108678 0.98 GBA1 (0.50) GBA1SPHK2SPHK1ALDH1A1TDP1
SCHEMBL11108682 0.98 GBA1 (0.50) GBA1SPHK2SPHK1ALDH1A1TDP1
SCHEMBL15618295 0.98 GBA1 (0.50) GBA1SPHK2SPHK1ALDH1A1TDP1
SCHEMBL15618283 0.98 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1319079-B1 TALAROMYCES XYLANASE BASF SE (DE) 2012-09-19 EP disclosed
US-7514110-B1 Talaromyces xylanases BASF AKTIENGESELLSCHAFT (DE) 2009-04-07 US disclosed
EP-1319079-A1 TALAROMYCES XYLANASE DSM N.V. (NL) 2003-06-18 EP disclosed
WO-2002024926-A1 TALAROMYCES XYLANASES DSM N.V. (NL) 2002-03-28 WO disclosed
EP-0871620-A4 BIOCATALYTIC METHODS FOR SYNTHESIZING AND IDENTIFYING BIOLOGICALLY ACTIVE COMPOUNDS ENZYMED INC (US) 1999-10-27 EP disclosed
EP-0871620-A1 BIOCATALYTIC METHODS FOR SYNTHESIZING AND IDENTIFYING BIOLOGICALLY ACTIVE COMPOUNDS ENZYMED, Inc. (US) 1998-10-21 EP disclosed
WO-1997010233-A9 BIOCATALYTIC METHODS FOR SYNTHESIZING AND IDENTIFYING BIOLOGICALLY ACTIVE COMPOUNDS 1997-05-09 WO disclosed
WO-1997010233-A1 BIOCATALYTIC METHODS FOR SYNTHESIZING AND IDENTIFYING BIOLOGICALLY ACTIVE COMPOUNDS ENZYMED, INC. (US) 1997-03-20 WO disclosed