SCHEMBL9418653

SCHEMBL9418653

CC(C)(C)C(=O)OOOC(C)(C)C1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.32
SSTR4 P31391 1/20 0.31
RIPK1 Q13546 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
SCHEMBL8427618 0.85 EPHX1 (0.33) EPHX1SSTR4
SCHEMBL8427619 0.84 EPHX1 (0.33) EPHX1SSTR4
SCHEMBL15744282 0.81 EPHX1 (0.35) EPHX1SSTR4
SCHEMBL16684202 0.79 EPHX1 (0.32) EPHX1SSTR4
SCHEMBL8427787 0.77
SCHEMBL4608949 0.73 NAAA (0.50)
SCHEMBL11042839 0.73 EPHX1 (0.30) EPHX1
SCHEMBL15160855 0.73 DGAT1 (0.43) EPHX1SSTR4
SCHEMBL19206705 0.73 EPHX1 (0.35) EPHX1SSTR4
SCHEMBL94162 0.71 NAAA (0.38) SSTR4

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
US-5362828-A One of which does not have benzene ring or alkoxy group; emulsion polymerization SHIN-ETSU CHEMICAL CO., LTD. (JP) 1994-11-08 US claimed
US-5362828-A One of which does not have benzene ring or alkoxy group; emulsion polymerization SHIN-ETSU CHEMICAL CO., LTD. (JP) 1994-11-08 US disclosed
US-5362828-A One of which does not have benzene ring or alkoxy group; emulsion polymerization SHIN-ETSU CHEMICAL CO., LTD. (JP) 1994-11-08 US disclosed