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Sugi Predict / Compounds / SCHEMBL2473954

SCHEMBL2473954

SCHEMBL2473954

CCC(=Cc1c(C)cccc1[C@@H](C)OCC1CO1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ MGLL Q99685 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ ESR1 P03372 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
SCHEMBL2473955 1.00 ALDH1A1 (0.33) ALDH1A1GLAMGLLKDM4EEPHX2
SCHEMBL2480035 0.89 EPHX2 (0.32) MGLLEPHX2
SCHEMBL2480037 0.89 EPHX2 (0.32) MGLLEPHX2
SCHEMBL2477699 0.87 EPHX2 (0.41) EPHX2TDP1
SCHEMBL2477700 0.87 EPHX2 (0.41) EPHX2TDP1
SCHEMBL2480359 0.85 MGLL (0.38) MGLLTDP1ESR1
SCHEMBL2480356 0.85 MGLL (0.38) MGLLTDP1ESR1
SCHEMBL2672582 0.81 MGLL (0.38) ALDH1A1GLAMGLLKDM4E
SCHEMBL2672583 0.81 MGLL (0.38) ALDH1A1GLAMGLLKDM4E
SCHEMBL2672579 0.81 MGLL (0.38) ALDH1A1GLAMGLLKDM4E

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
EP-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 — — EP disclosed
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 — — EP disclosed