SCHEMBL9215759

SCHEMBL9215759

CS[C@H]1O[C@H](C(O)Cc2ccccc2)[C@](O)(C(C)=O)[C@@](O)(Cc2ccccc2)[C@@]1(O)Cc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 4/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PAM P19021 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
ALPI P09923 1/20 0.30
PKM P14618 1/20 0.30
PTGS1 P23219 1/20 0.30
XIAP P98170 1/20 0.30
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL9219818 0.92 CTRB1 (0.31) CTRB1MTNR1AMTNR1BALPIPKM
SCHEMBL9219602 0.85 CTRB1 (0.32) CTRB1MTNR1AMTNR1BALPIPKM
SCHEMBL9222201 0.80 ALDH1A1 (0.30)
SCHEMBL1660908 0.74 MTNR1A (0.33) CTRB1NPC1RAB9AMTNR1AMTNR1B
SCHEMBL8014923 0.74 LMNA (0.33) LMNA
SCHEMBL5419716 0.73
SCHEMBL7774198 0.72
SCHEMBL11233925 0.72
SCHEMBL5792735 0.71
SCHEMBL5476252 0.71 ALPI (0.34) CTRB1NPC1RAB9AMTNR1AMTNR1B

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-1995003315-A2 SACCHARIDES, THEIR SYNTHESIS AND USE OXFORD GLYCOSYSTEMS LTD (GB) 1995-02-02 WO disclosed