SCHEMBL10779846

SCHEMBL10779846

CCCCOC(OCCCC)(OCCCC)C(=O)O[SiH3]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
ATM Q13315 2/20 0.38
TSHR P16473 3/20 0.35
HPGD P15428 1/20 0.35
HCAR2 Q8TDS4 1/20 0.33
LPAR3 Q9UBY5 3/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CES2 O00748 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
NAAA Q02083 1/20 0.32
DGKA P23743 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL3740989 0.82 ATM (0.41) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL10774285 0.79 ALDH1A1 (0.40) ALDH1A1ATMTSHRHPGDCES2
SCHEMBL10776893 0.79 ALDH1A1 (0.40) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL5702342 0.78 CYP4F2 (0.35) ALDH1A1CYP4F2CYP4A11
SCHEMBL15610709 0.76 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL10538536 0.76 CYP4F2 (0.44) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL28702641 0.74 ALDH1A1 (0.43) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL28379031 0.73 ALDH1A1 (0.39) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL19025369 0.71 ALDH1A1 (0.40) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL703088 0.70 CYP4F2 (0.46) ALDH1A1ATML3MBTL1CES2CYP4F2

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
EP-0240952-A2 A method for producing a flaky material SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-14 EP disclosed