SCHEMBL23937263

SCHEMBL23937263

CCCC1COC(CO)C(O)C1O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 1/20 0.40
SPHK2 Q9NRA0 7/20 0.39
SPHK1 Q9NYA1 6/20 0.39
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
TREH O43280 1/20 0.34
PYGB P11216 1/20 0.33
GBA1 P04062 1/20 0.32

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
SCHEMBL18270028 0.84 LGALS3 (0.42) LGALS3SPHK2SPHK1TREHPYGB
SCHEMBL24916903 0.84 LGALS3 (0.42) LGALS3SPHK2SPHK1TREHPYGB
SCHEMBL21425220 0.84 LGALS3 (0.42) LGALS3SPHK2SPHK1TREHPYGB
SCHEMBL24916758 0.84 LGALS3 (0.42) LGALS3SPHK2SPHK1TREHPYGB
SCHEMBL24256557 0.81 LGALS3 (0.46) LGALS3TREHGBA1
SCHEMBL23704952 0.81 LGALS3 (0.46) LGALS3TREHGBA1
SCHEMBL24256797 0.81 LGALS3 (0.40) LGALS3SPHK2SPHK1TREH
SCHEMBL24256594 0.81 LGALS3 (0.40) LGALS3SPHK2SPHK1TREH
SCHEMBL23705239 0.81 LGALS3 (0.40) LGALS3SPHK2SPHK1TREH
SCHEMBL30103366 0.81 LGALS3 (0.40) LGALS3SPHK2SPHK1TREH

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
EP-3896079-A1 METHOD OF PREPARING PEGYLATED BIOMOLECULES HAVING CONTROLLABLE BINDING SITES Jenkem Technology Co. Ltd. (Tianjin) (CN) 2021-10-20 EP disclosed