SCHEMBL22201792

SCHEMBL22201792

CCCC1CC2CCC(C1)C(SCc1ccccc1)C2

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.34
HPGD P15428 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
P2RX7 Q99572 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL6456030 0.68 HRH3 (0.45) HRH3
SCHEMBL6456036 0.68 HRH3 (0.45) HRH3
SCHEMBL22201796 0.68 ALDH1A1 (0.52) HPGDGAAMAPTMAPK1TDP1
SCHEMBL22201798 0.68 HRH3 (0.43) HRH3P2RX7GAAMAPTMAPK1
SCHEMBL2829069 0.66 DRD2 (0.47) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL9346730 0.64 GBA1 (0.50) HRH3ALDH1A1MEN1KMT2A
SCHEMBL9346744 0.64 GBA1 (0.50) HRH3ALDH1A1MEN1KMT2A
SCHEMBL15271061 0.64 CTSK (0.50) CTSKHPGDDDB1CRBNSMN1; SMN2
SCHEMBL7513470 0.64 GBA1 (0.50) HRH3ALDH1A1MEN1KMT2A
SCHEMBL8433536 0.64 HRH3 (0.50) HRH3GAAMAPTMAPK1SMN1; SMN2

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