SCHEMBL22201700

SCHEMBL22201700

CCC1CC2CC(CC(=O)OCc3ccccc3)C1C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.47
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KMT2A Q03164 2/20 0.39
EPHX2 P34913 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HTR2C P28335 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37
STAT1 P42224 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37

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 0.90 GLA (0.45) GLAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL22201709 0.85 GLA (0.44) GLAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL22201662 0.82 ALDH1A1 (0.51) GLAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL25186207 0.77 ALDH1A1 (0.56) GLAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL22201701 0.76 NPC1 (0.50) ALDH1A1MAPK1L3MBTL1KMT2AEPHX2
SCHEMBL5329602 0.75 CA1 (0.47) GLAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL17391096 0.75 ALDH1A1 (0.53) GLAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL17391080 0.75 ALDH1A1 (0.53) GLAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL17391126 0.75 ALDH1A1 (0.53) GLAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL17391044 0.75 ALDH1A1 (0.53) GLAALDH1A1MAPK1L3MBTL1KMT2A

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