SCHEMBL22201796

SCHEMBL22201796

CCCC1CC2CCC(C1)C(CC(=O)OCc1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.44
SIRT5 Q9NXA8 1/20 0.43
GLA P06280 1/20 0.41
MAPK1 P28482 2/20 0.40

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
SCHEMBL22201703 0.78 GLA (0.45) ALDH1A1L3MBTL1TDP1KMT2AGLA
SCHEMBL22201662 0.73 ALDH1A1 (0.51) ALDH1A1L3MBTL1TDP1LMNAGAA
SCHEMBL22201700 0.72 GLA (0.47) ALDH1A1L3MBTL1TDP1LMNAMAPT
SCHEMBL22201801 0.72 NPC1 (0.43) ALDH1A1L3MBTL1POLBMEN1KMT2A
SCHEMBL25186207 0.71 ALDH1A1 (0.56) ALDH1A1L3MBTL1TDP1LMNAGAA
SCHEMBL4143101 0.70 ALDH1A1 (0.59) ALDH1A1L3MBTL1TDP1LMNAGAA
SCHEMBL32689200 0.70 ALDH1A1 (0.64) ALDH1A1L3MBTL1TDP1LMNAMAPT
SCHEMBL8861214 0.70 TDP1 (0.53) ALDH1A1L3MBTL1TDP1LMNAMAPT
SCHEMBL32688760 0.70 SIRT5 (0.52) ALDH1A1L3MBTL1TDP1LMNAMAPT
SCHEMBL11603168 0.69 SIRT5 (0.54) ALDH1A1L3MBTL1TDP1LMNAMAPT

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
US-20200216670-A1 THERMOSETTING SILICON-CONTAINING COMPOUND, COMPOSITION FOR FORMING A SILICON-CONTAINING FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-09 US disclosed