SCHEMBL9468355

SCHEMBL9468355

CCC(C)C(C(=O)O)(C(=O)O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.38
KIF11 P52732 1/20 0.33
SHBG P04278 1/20 0.33
EPHX2 P34913 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
NAAA Q02083 1/20 0.31

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
SCHEMBL21269275 0.81 EPHX1 (0.34) EPHX1KIF11SHBGKEAP1NFE2L2
SCHEMBL28314663 0.81 EPHX1 (0.34) EPHX1KIF11SHBGKEAP1NFE2L2
Magnesium SCHEMBL29456112 0.81 EPHX1 (0.34) EPHX1KIF11SHBGKEAP1NFE2L2
SCHEMBL28315774 0.81 EPHX1 (0.34) EPHX1KIF11SHBGKEAP1NFE2L2
SCHEMBL21268844 0.81 EPHX1 (0.34) EPHX1KIF11SHBGKEAP1NFE2L2
SCHEMBL28315542 0.81 EPHX1 (0.34) EPHX1KIF11SHBGKEAP1NFE2L2
SCHEMBL21269577 0.81 EPHX1 (0.34) EPHX1KIF11SHBGKEAP1NFE2L2
SCHEMBL28004203 0.80 KEAP1 (0.36) EPHX1KIF11KEAP1NFE2L2
SCHEMBL28314696 0.80 EPHX1 (0.33) EPHX1KIF11SHBGKEAP1NFE2L2
SCHEMBL21269988 0.79 KEAP1 (0.35) EPHX1KIF11KEAP1NFE2L2

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
US-5262313-A Reaction of carrageen with esterase and hardening drops ANDCARE, INC. (US) 1993-11-16 US disclosed