SCHEMBL9610875

SCHEMBL9610875

C=C(C)C(=O)OCC1O[C@@H](OC)C(OC(=O)C(=C)C)[C@@H](OC(=O)C(=C)C)[C@@H]1OC(=O)C(=C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.43
▸ CA2 P00918 4/20 0.40
▸ TSHR P16473 2/20 0.37
▸ NR3C1 P04150 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ ANTXR2 P58335 2/20 0.36
▸ CA12 O43570 3/20 0.36
▸ CA1 P00915 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ F10 P00742 1/20 0.35

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
SCHEMBL9610882 1.00 CYP2D6 (0.46) CYP2D6THRBHSD17B10ALDH1A1CA2
SCHEMBL15926260 1.00 CYP2D6 (0.46) CYP2D6THRBHSD17B10ALDH1A1CA2
SCHEMBL9612324 1.00 CYP2D6 (0.46) CYP2D6THRBHSD17B10ALDH1A1CA2
SCHEMBL9612321 1.00 CYP2D6 (0.46) CYP2D6THRBHSD17B10ALDH1A1CA2
SCHEMBL25632372 0.84 CYP2D6 (0.57) CYP2D6THRBHSD17B10ALDH1A1CA2
SCHEMBL16744083 0.80 ALDH1A1 (0.43) CYP2D6THRBHSD17B10ALDH1A1TSHR
SCHEMBL7952122 0.79 CYP2D6 (0.69) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL21993331 0.79 CYP2D6 (0.69) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL16946458 0.79 CYP2D6 (0.69) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL22127625 0.79 CYP2D6 (0.69) CYP2D6THRBHSD17B10CA2TSHR

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
US-8796362-B2 Cellulose based polymer material CARLSBERG A/S (DK) 2014-08-05 — — US disclosed
US-20120135170-A1 CELLULOSE BASED POLYMER MATERIAL CARLSBERG A/S 2012-05-31 — — US disclosed
Send feedback