SCHEMBL4911675

SCHEMBL4911675

OC[C@H]1O[C@@H]2O[C@H]2[C@@H](O)[C@@H]1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
TSHR P16473 2/20 0.67
LMNA P02545 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
TXNRD1 Q16881 6/20 0.59
TXNRD3 Q86VQ6 6/20 0.59
TXNRD2 Q9NNW7 6/20 0.59
LGALS1 P09382 2/20 0.46
LGALS3 P17931 2/20 0.46
LGALS9 O00182 1/20 0.46
LGALS8 O00214 1/20 0.46
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37

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
SCHEMBL4911677 1.00 ALDH1A1 (0.67) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL6266510 1.00 ALDH1A1 (0.67) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL28471882 1.00 ALDH1A1 (0.67) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL1193222 1.00 ALDH1A1 (0.67) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL18736267 1.00 ALDH1A1 (0.67) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL16016300 1.00 ALDH1A1 (0.67) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL6450045 1.00 ALDH1A1 (0.67) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL4911680 1.00 ALDH1A1 (0.67) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL890314 1.00 ALDH1A1 (0.67) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL4070795 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234224-A1 External Preparation For Skin SHOWA DENKO K.K. (JP) 2008-09-25 US disclosed
US-20070202070-A1 Moisture Retention Polymer Compound SHOWA DENKO K.K. (JP) 2007-08-30 US disclosed
WO-2005094777-A1 EXTERNAL PREPARATION FOR SKIN SHOWA DENKO K.K. (JP) 2005-10-13 WO disclosed
WO-2005095462-A1 MOISTURE RETENTION POLYMER COMPOUND SHOWA DENKO K.K. (JP) 2005-10-13 WO disclosed
US-20050220744-A1 Polysaccharide/functional compound complex SHOWA DENKO K.K. 2005-10-06 US disclosed