SCHEMBL11269362

SCHEMBL11269362

CCCCOC(C)(Cl)OC(C)CCC=C(C)CCC(=O)OC

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.32
BIRC2 Q13490 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PPARG P37231 2/20 0.30
CTSK P43235 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL11266371 0.87 BIRC2 (0.33) KDM1ABIRC2PPARGEPHX2
SCHEMBL11269378 0.77 PPARG (0.31) BIRC2PPARG
SCHEMBL11266377 0.75 PPARG (0.31) BIRC2PPARG
SCHEMBL11271339 0.74 KDM1A (0.33) KDM1A
SCHEMBL11269369 0.71 PPARG (0.30) PPARGEPHX2
SCHEMBL11266374 0.69 PPARG (0.30) PPARGEPHX2
SCHEMBL11277703 0.67 PPARG (0.31) PPARG
SCHEMBL11268417 0.65 PPARG (0.32) KDM1APPARG
SCHEMBL11268924 0.65 TSHR (0.33)
SCHEMBL11263521 0.64 CYP3A4 (0.33) PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0054909-A2 9-Halo-8-hydroxy-4-methyl-4-nonenoic acids, derivatives thereof and a process for their preparation MITSUBISHI KASEI CORPORATION (JP) 1982-06-30 EP disclosed