SCHEMBL28074353

SCHEMBL28074353

CCCCCOC1CC1=O.CCCCCOC1CCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
RECQL P46063 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
EPHX2 P34913 1/20 0.33
BLM P54132 1/20 0.33
GBA1 P04062 1/20 0.33
CYP19A1 P11511 2/20 0.32
CYP1A2 P05177 2/20 0.32

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
SCHEMBL898915 0.95 RECQL (0.35) ALDH1A1RECQLGLAHPGDTSHR
SCHEMBL12894260 0.90 CYP19A1 (0.37) CYP19A1
SCHEMBL1148735 0.89 CA1 (0.37) RECQLGLAHPGDTSHRMAPK1
SCHEMBL9419269 0.89 CA1 (0.37) RECQLGLAHPGDTSHRMAPK1
SCHEMBL896961 0.86 GBA1 (0.41) ALDH1A1RECQLGLAHPGDTSHR
SCHEMBL11669744 0.85 POLB (0.40) ALDH1A1CYP19A1
SCHEMBL12590724 0.79 CYP19A1 (0.39) CYP19A1CYP1A2
SCHEMBL10215418 0.78 CA1 (0.42) ALDH1A1
SCHEMBL9872329 0.75 GBA1 (0.34) RECQLGLAHPGDTSHRMAPK1
SCHEMBL9872332 0.75 GBA1 (0.34) RECQLGLAHPGDTSHRMAPK1

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-103553886-B Shuttle back and forth additive for the oxidoreduction of the Polyetherfunctional of lithium ion battery U芝加哥阿尔贡股份有限公司 2016-07-06 CN disclosed