SCHEMBL9690219

SCHEMBL9690219

CCCCCCCCC1(C(=O)OC)OC1(C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NAAA Q02083 1/20 0.38
CETP P11597 2/20 0.36

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
SCHEMBL9692327 0.79 HTT (0.43) HTTMMP2MMP3MMP9MEN1
SCHEMBL11153661 0.77 EPHX1 (0.39)
SCHEMBL11163625 0.76 EPHX1 (0.36)
SCHEMBL11164487 0.72 EPHX1 (0.38)
SCHEMBL320551 0.72 HCAR3 (0.41) HTTMEN1KMT2A
SCHEMBL18338919 0.71 OPRM1 (0.47) MEN1KMT2A
SCHEMBL9692277 0.71 CYP3A4 (0.36) MEN1KMT2A
SCHEMBL9691992 0.70 KMT2A (0.51) HTTMEN1KMT2A
SCHEMBL14967132 0.70 HTT (0.41) HTTMEN1KMT2A
SCHEMBL9692240 0.69 MEN1 (0.43) HTTMEN1KMT2A

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