SCHEMBL15722832

SCHEMBL15722832

CC(C)OP(=O)(OC(C)C)SCC(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.33
CYP1A2 P05177 1/20 0.33
CTSA P10619 1/20 0.32
ACHE P22303 1/20 0.32
LAP3 P28838 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
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
SCHEMBL28699757 0.80 CA2 (0.36) LAP3TDP1
SCHEMBL10039251 0.79 ALDH1A1 (0.35) GABRR1CYP1A2KDM4E
SCHEMBL20107503 0.78 CTSA (0.36) CTSAACHEKDM4EPOLB
SCHEMBL31331939 0.75 BLM (0.30)
SCHEMBL28394485 0.73 TSHR (0.39) CYP1A2CTSAACHEKDM4ETDP1
SCHEMBL21732691 0.73 TSHR (0.32) TDP1
SCHEMBL21732708 0.73 TSHR (0.32) TDP1
SCHEMBL25670451 0.72 CTSA (0.31) CTSAACHE
SCHEMBL16626924 0.71 GABRR1 (0.46) GABRR1CYP1A2
SCHEMBL5518553 0.71 GABRR1 (0.46) GABRR1CYP1A2

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
US-20140142009-A1 Lubricant Compositions Comprising Epoxide Compounds BASF SE 2014-05-22 US disclosed
US-20140142009-A1 Lubricant Compositions Comprising Epoxide Compounds BASF SE 2014-05-22 US disclosed