SCHEMBL22201703

SCHEMBL22201703

CCCC1CC2CC(CC(=O)OCc3ccccc3)C1C2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.45
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 1/20 0.39
EPHX2 P34913 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR2C P28335 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL22201700 0.90 GLA (0.47) GLAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL22201709 0.83 GLA (0.44) GLAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL22201796 0.78 ALDH1A1 (0.52) GLAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL25186207 0.75 ALDH1A1 (0.56) GLAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL22201662 0.74 ALDH1A1 (0.51) GLAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL5329602 0.73 CA1 (0.47) GLAALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL17391096 0.73 ALDH1A1 (0.53) GLAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL17391126 0.73 ALDH1A1 (0.53) GLAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL17391080 0.73 ALDH1A1 (0.53) GLAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL17391044 0.73 ALDH1A1 (0.53) GLAALDH1A1MAPK1L3MBTL1TDP1

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