SCHEMBL9692240

SCHEMBL9692240

CCC1(C(=O)OC)OC1(CC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.42
OPRM1 P35372 4/20 0.38
OPRD1 P41143 3/20 0.38
OPRK1 P41145 3/20 0.38
SIGMAR1 Q99720 1/20 0.37
HCAR3 P49019 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
SLC22A1 O15245 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
KCNH2 Q12809 1/20 0.35
TSHR P16473 1/20 0.34
MITF O75030 1/20 0.34

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
SCHEMBL9692795 0.81 KMT2A (0.46) MEN1KMT2AHTTOPRM1OPRD1
SCHEMBL9692257 0.74 MEN1 (0.45) MEN1KMT2AHTTOPRM1OPRD1
SCHEMBL9817499 0.70 HCAR3 (0.40) MEN1KMT2AOPRM1HCAR3HCAR2
SCHEMBL9692327 0.69 HTT (0.43) MEN1KMT2AHTT
SCHEMBL9690219 0.69 HTT (0.43) MEN1KMT2AHTT
SCHEMBL16109527 0.69 TDP1 (0.37) MEN1KMT2AHTTOPRM1
SCHEMBL9690243 0.68 KMT2A (0.53) MEN1KMT2AHTTSIGMAR1HCAR3
SCHEMBL320551 0.68 HCAR3 (0.41) MEN1KMT2AHTTOPRM1HCAR3
SCHEMBL10889346 0.68 TSHR (0.36) MEN1KMT2AHTTOPRM1OPRK1
SCHEMBL14968225 0.68 IDO1 (0.31)

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