SCHEMBL28849663

SCHEMBL28849663

Cc1cc(CC=O)c2c(c1)COC(C)(C)O2

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOB P27338 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
SCHEMBL12563136 0.81 ALDH1A1 (0.40) ALDH1A1MAPK1KMT2AMAOB
SCHEMBL16675618 0.81 ALDH1A1 (0.40) ALDH1A1MAPK1KMT2A
SCHEMBL28172871 0.79 ALDH1A1 (0.39) ALDH1A1MAPK1KMT2AMAOB
SCHEMBL12749587 0.78 ERN1 (0.38) ALDH1A1MAPK1KMT2AMAOB
SCHEMBL11113228 0.72 MAOB (0.36) ALDH1A1MAPK1KMT2AMAOB
SCHEMBL28172137 0.72 ALDH1A1 (0.36) ALDH1A1MAPK1KMT2AMAOB
SCHEMBL9518641 0.72 ALDH1A1 (0.36) ALDH1A1MAPK1KMT2AMAOB
SCHEMBL9518391 0.71 ALDH1A1 (0.38) ALDH1A1MAPK1KMT2AMAOB
SCHEMBL11113188 0.71 ACHE (0.38) ALDH1A1MAPK1KMT2AMAOB
SCHEMBL12749570 0.70 NR1D1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107497845-A A kind of Cd-polluted farmland soil is passivated restorative procedure 爱土工程环境科技有限公司 2017-12-22 CN disclosed
CN-107138518-A A kind of hexavalent chromium polluted soil in-situ injection restorative procedure 爱土工程环境科技有限公司 2017-09-08 CN disclosed