SCHEMBL9842536

SCHEMBL9842536

CCCCCCCCCCCCCCCCCC1(OC(=O)OC(C)(C)CC)OO1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.31
POLA1 P09884 2/20 0.31
DNTT P04053 1/20 0.30
POLB P06746 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
SCHEMBL3296089 0.88 SPHK1 (0.33) EPHX1POLA1DNTTPOLB
SCHEMBL18550208 0.80
SCHEMBL11603667 0.76 NAAA (0.34) EPHX1POLA1
SCHEMBL11228349 0.76 NAAA (0.42) EPHX1POLB
SCHEMBL27464481 0.75 GPR84 (0.39) EPHX1
SCHEMBL12233857 0.72 DGKA (0.48) POLA1POLB
SCHEMBL18663443 0.71 DGKA (0.33) POLA1DNTTPOLB
SCHEMBL19359801 0.70 NAAA (0.50) EPHX1
SCHEMBL20697555 0.70 NAAA (0.50) EPHX1
SCHEMBL728140 0.70 CA2 (0.34)

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-5051465-A Organopolysiloxane, silica and an organic peroxide which is hot air vulcanizable for moldings SHIN-ETSU CHEMICAL CO., LTD. (JP) 1991-09-24 US disclosed