SCHEMBL28833013

SCHEMBL28833013

CCOC(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.[NaH]

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
HSP90B1 P14625 1/20 0.40
LMNA P02545 3/20 0.38
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38
ALDH1A1 P00352 4/20 0.33
CTSL P07711 2/20 0.33
CAPN1 P07384 1/20 0.33
CTSB P07858 1/20 0.33
CTSG P08311 1/20 0.33
AKT1 P31749 1/20 0.33
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 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
SCHEMBL2189182 0.98 TSHR (0.45) TSHRHSP90B1LMNAPPM1BPTPN1
SCHEMBL2189191 0.98 TSHR (0.45) TSHRHSP90B1LMNAPPM1BPTPN1
SCHEMBL29981924 0.96 TSHR (0.46) TSHRHSP90B1LMNAPPM1BPTPN1
SCHEMBL6666772 0.84 PPM1B (0.41) TSHRHSP90B1PPM1BPTPN1PPP1CC
SCHEMBL28475631 0.81 LGALS3 (0.33)
SCHEMBL27766467 0.81 AHCY (0.45) TSHRLMNAPPM1BPTPN1PPP1CC
SCHEMBL14317077 0.81 AHCY (0.45) TSHRLMNAPPM1BPTPN1PPP1CC
SCHEMBL27737603 0.80 LGALS3 (0.46) TSHRHSP90B1LMNAPPM1BPTPN1
SCHEMBL28214269 0.79 AHCY (0.34) HSP90B1
SCHEMBL19226382 0.79 TSHR (0.41) TSHRHSP90B1PPM1BPTPN1PPP1CC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106029106-A Coagulation factor IX conjugates 诺和诺德保健股份有限公司 2016-10-12 CN disclosed
CN-105979972-A Factor viii conjugates 诺和诺德股份有限公司 2016-09-28 CN disclosed