SCHEMBL28819085

SCHEMBL28819085

CCCCON1C(C)(C)CC(NC(C)=O)CC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
OGA O60502 1/20 0.35
ASGR1 P07306 1/20 0.34
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL27701325 0.97 ALDH1A1 (0.34) ALDH1A1OGAASGR1EPHX2KDM4E
Sulfuric Acid SCHEMBL3793070 0.95 EPHX2 (0.33) ALDH1A1OGAASGR1EPHX2
Sulfuric Acid SCHEMBL3802428 0.95 EPHX2 (0.33) ALDH1A1OGAASGR1EPHX2
SCHEMBL9041004 0.94 EPHX2 (0.37) ASGR1EPHX2GAA
SCHEMBL31540858 0.94 EPHX2 (0.37) ASGR1EPHX2GAA
Sulfuric Acid SCHEMBL27855613 0.93 EPHX2 (0.33) ALDH1A1OGAASGR1EPHX2
SCHEMBL13009455 0.91 ALDH1A1 (0.37) ALDH1A1OGAASGR1EPHX2KDM4E
SCHEMBL9041269 0.91 KDM4E (0.37) ALDH1A1KDM4EGAA
SCHEMBL4982955 0.84 ALDH1A1 (0.36) ALDH1A1OGAKDM4EGAA
SCHEMBL12047219 0.82 TSHR (0.36) ALDH1A1EPHX2GAA

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
CN-104586637-A body-care and household products and compositions comprising specific sulfur-containing compounds BASF SE 2015-05-06 CN disclosed