SCHEMBL7709533

SCHEMBL7709533

CCOC(=O)[C@@H]1OC(c2ccc(O)cc2)O[C@H]1C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 4/20 0.46
CA9 Q16790 4/20 0.46
CA14 Q9ULX7 4/20 0.46
ESR2 Q92731 2/20 0.46
ESR1 P03372 1/20 0.46
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL7939260 0.89 TSHR (0.55) TSHRALDH1A1SMN1; SMN2CTSLCTSB
SCHEMBL7950760 0.89 TSHR (0.55) TSHRALDH1A1SMN1; SMN2CTSLCTSB
SCHEMBL6572035 0.85 TSHR (0.73) TSHRKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL2749958 0.85 TSHR (0.73) TSHRKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL9083037 0.84 TSHR (0.51) TSHRALDH1A1MAPTKMT2ACAPN1
SCHEMBL7939268 0.84 TSHR (0.55) TSHRKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL9420155 0.84 TSHR (0.55) TSHRKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL9420215 0.83 TSHR (0.50) TSHRALDH1A1SMN1; SMN2CTSLCTSB
SCHEMBL9420202 0.83 TSHR (0.50) TSHRALDH1A1SMN1; SMN2CTSLCTSB
SCHEMBL7707081 0.80 TSHR (0.53) TSHRALDH1A1SMN1; SMN2ESR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988299-B1 POLYMERISABLE, OPTICALLY ACTIVE DIOXOLANE DIESTERS ROLIC AG (CH) 2002-07-03 EP disclosed
US-6120859-A Polymerisable, optically active dioxolane diesters ROLIC AG (CH) 2000-09-19 US disclosed
EP-0988299-A1 POLYMERISABLE, OPTICALLY ACTIVE DIOXOLANE DIESTERS Rolic AG (CH) 2000-03-29 EP disclosed
WO-1998055473-A1 POLYMERISABLE, OPTICALLY ACTIVE DIOXOLANE DIESTERS ROLIC AG (CH) 1998-12-10 WO disclosed