SCHEMBL3960989

SCHEMBL3960989

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 9/20 0.53
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TNF P01375 1/20 0.36
GBA2 Q9HCG7 7/20 0.35

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 0.98 GBA1 (0.56) GBA1SPHK2SPHK1ALDH1A1TDP1
SCHEMBL11108673 0.98 GBA1 (0.56) GBA1SPHK2SPHK1ALDH1A1TDP1
SCHEMBL11098585 0.98 GBA1 (0.56) GBA1SPHK2SPHK1ALDH1A1TDP1
SCHEMBL11097329 0.95 GBA1 (0.46) GBA1SPHK2SPHK1GBA2
SCHEMBL2044382 0.95 GBA1 (0.46) GBA1SPHK2SPHK1GBA2
SCHEMBL2041117 0.88 GBA1 (0.36) GBA1SPHK2
SCHEMBL14992214 0.88 GBA1 (0.36) GBA1SPHK2
SCHEMBL9724515 0.83 GBA1 (0.53) GBA1SPHK2SPHK1ALDH1A1TDP1
SCHEMBL15886973 0.81 GBA1 (0.46) GBA1SPHK2SPHK1GBA2
SCHEMBL2038773 0.80 MAPT (0.32)

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