SCHEMBL9692732

SCHEMBL9692732

CCC1(c2ccc(C(=O)OC)cc2)OC1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP4A11 Q02928 2/20 0.38

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
SCHEMBL9692237 0.85 TDP1 (0.36) MAPTTDP1KMT2AGAAHPGD
SCHEMBL9691702 0.84 ALDH1A1 (0.36) MAPTTSHRALDH1A1
SCHEMBL9692296 0.78 RAB9A (0.46) MAPTCA1CA2TDP1CA12
SCHEMBL14968329 0.71 HPGD (0.40) TDP1SMN1; SMN2KMT2AHPGDRAB9A
SCHEMBL106248 0.71 ALDH1A1 (0.34) MAPTSMN1; SMN2KMT2AHPGDRAB9A
SCHEMBL9691924 0.71 HTT (0.44) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL16110272 0.70 ABHD10 (0.44) MAPTTDP1KMT2AGAATSHR
SCHEMBL14967638 0.70 MIF (0.41) TDP1SMN1; SMN2KMT2AGAAHPGD
SCHEMBL14967432 0.70 ELANE (0.38) MAPTTDP1GAAHTTTSHR
SCHEMBL16109685 0.69 SCN1A (0.36) KMT2ARAB9AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0153692-B1 METHOD FOR ISOMERIZATION A GLYCIDATE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-29 EP disclosed
US-4621150-A METAL PERHALATE OR SULFONATE OR COMPLEX; GLYCIDATE, 2-HYDROXY-3-BUTENOATE, EPOXIDE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-11-04 US disclosed
EP-0153692-A2 Method for isomerization a glycidate derivative SAGAMI CHEMICAL RESEARCH CENTER (JP) 1985-09-04 EP disclosed