SCHEMBL9752808

SCHEMBL9752808

CCC(C)(C(=O)OC)C(=O)C(C)(CC)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.39
ALDH1A1 P00352 3/20 0.33
MMP8 P22894 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KCNN4 O15554 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
FKBP1A P62942 1/20 0.30
CYP2C19 P33261 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
SCHEMBL2327259 0.90 DGAT1 (0.42) DGAT1ALDH1A1MMP8POLBTSHR
SCHEMBL556529 0.83 DGAT1 (0.38) DGAT1ALDH1A1MMP8POLBTSHR
SCHEMBL4791578 0.83 DGAT1 (0.38) DGAT1ALDH1A1MMP8POLBTSHR
SCHEMBL3169320 0.81 DGAT1 (0.37) DGAT1ALDH1A1MMP8POLBTSHR
SCHEMBL17896932 0.79 DGAT1 (0.35) DGAT1ALDH1A1MMP8POLB
SCHEMBL3343065 0.78 MMP8 (0.48) ALDH1A1MMP8TSHRNPSR1CYP2C19
SCHEMBL17617140 0.78 ALDH1A1 (0.36) DGAT1ALDH1A1MMP8POLBTSHR
SCHEMBL6721877 0.78 DGAT1 (0.34) DGAT1ALDH1A1MMP8POLBCA1
SCHEMBL17617189 0.78 ALDH1A1 (0.36) DGAT1ALDH1A1MMP8POLBTSHR
SCHEMBL21054110 0.76 CES2 (0.41) TSHRATML3MBTL1CA1CA2

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
WO-1991009823-A1 PHOTOCATALYTIC PROCESS FOR DEGRADATION OF ORGANIC MATERIALS IN A VAPORIZED OR GASEOUS STATE TRUSTEES OF BOSTON UNIVERSITY (US) 1991-07-11 WO disclosed