SCHEMBL21935009

SCHEMBL21935009

CCCc1ccc(C(CC(C)(C)C)C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
ACACB O00763 2/20 0.35
ACACA Q13085 1/20 0.35
CA2 P00918 1/20 0.35
THRB P10828 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MGLL Q99685 1/20 0.33
PLK1 P53350 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 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
SCHEMBL23034842 0.79 ESR1 (0.31)
SCHEMBL13367145 0.79 HRH3 (0.38)
SCHEMBL13752316 0.79 PPARG (0.40) CA2
SCHEMBL29293451 0.79 ESR1 (0.31) CA2L3MBTL1
SCHEMBL14540206 0.79 HRH3 (0.38)
SCHEMBL14041126 0.77
SCHEMBL13808691 0.77 HRH3 (0.48)
SCHEMBL19827201 0.77 L3MBTL1 (0.35) GAAL3MBTL1
SCHEMBL18965814 0.76 IDO1 (0.39) ACACB
SCHEMBL24712898 0.76

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-3079015-B1 PHOTOMASK BLANK, RESIST PATTERN FORMING PROCESS, AND METHOD FOR MAKING PHOTOMASK SHINETSU CHEMICAL CO (JP) 2020-04-29 EP disclosed