SCHEMBL21391503

SCHEMBL21391503

C#CCCC(=O)C[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)C(O)CC2O)C(O)C1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.35
LGALS8 O00214 2/20 0.35
LGALS3 P17931 2/20 0.35
LGALS4 P56470 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
IGF2R P11717 1/20 0.34
BLM P54132 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 2/20 0.33
LRAT O95237 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CD69 Q07108 1/20 0.33
GJA1 P17302 1/20 0.32
GJB2 P29033 1/20 0.32
CYP2C9 P11712 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
SCHEMBL21391536 0.88 LGALS3 (0.46) AMY1ALGALS8LGALS3LGALS4IGF2R
SCHEMBL21391538 0.88 LGALS3 (0.46) AMY1ALGALS8LGALS3LGALS4IGF2R
SCHEMBL22906104 0.80 LGALS8 (0.37) AMY1ALGALS8LGALS3LGALS4HSD17B10
SCHEMBL21391532 0.78 MGAM (0.32) MEN1KMT2A
SCHEMBL22906132 0.77 LGALS3 (0.46) AMY1ALGALS8LGALS3LGALS4IGF2R
SCHEMBL22906103 0.75 LGALS8 (0.44) LGALS8RECQLKDM4EPOLBPTPN1
SCHEMBL20243564 0.70 MEN1 (0.40) AMY1ALGALS8LGALS3LGALS4TSHR
SCHEMBL10301424 0.69 LGALS8 (0.53) LGALS8LGALS3LGALS4IGF2RKDM4E
SCHEMBL12198736 0.69 LGALS8 (0.53) LGALS8LGALS3LGALS4IGF2RKDM4E
SCHEMBL21391540 0.69 LGALS8 (0.49) AMY1ALGALS8LGALS3LGALS4TSHR

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
WO-2019182087-A1 OLIGOSACCHARIDE C-GLYCOSIDE DERIVATIVES OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2019-09-26 WO disclosed