SCHEMBL22201798

SCHEMBL22201798

CCCC1CC2CCC(COCCc3ccccc3)C(C1)C2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPHX2 P34913 1/20 0.33
P2RX7 Q99572 1/20 0.31

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
SCHEMBL22201765 0.75 HRH3 (0.41) HRH3HTR2AHTR2CMEN1KMT2A
SCHEMBL8490584 0.68 SIGMAR1 (0.59) HRH3DRD2HTR2AHTR2CHTR2B
SCHEMBL6456036 0.68 HRH3 (0.45) HRH3
SCHEMBL6456030 0.68 HRH3 (0.45) HRH3
SCHEMBL22201792 0.68 CTSK (0.34) HRH3ALDH1A1MEN1KMT2AGAA
SCHEMBL29059874 0.68 HRH3 (0.43) HRH3DRD2HTR2AHTR2CHTR2B
SCHEMBL22201796 0.67 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL22201768 0.65 SPHK1 (0.34) HRH3ALDH1A1KMT2AGAAMAPT
SCHEMBL9346297 0.65 HRH3 (0.54) HRH3GAAMAPTMAPK1SMN1; SMN2
SCHEMBL1031533 0.65 HRH3 (0.54) 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