SCHEMBL22201765

SCHEMBL22201765

CCCCC1CC2CCC(CCOCc3ccccc3)C(C1)C2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
EPHX2 P34913 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
AGTR2 P50052 1/20 0.33
PDE4D Q08499 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TEAD3 Q99594 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL22201798 0.75 HRH3 (0.43) HRH3EPHX2TDP1HTR2AHTR2C
SCHEMBL28949979 0.73 ALOX5 (0.43) HRH3EPHX2L3MBTL1TDP1PDE4D
SCHEMBL23533377 0.73 ALOX5 (0.43) HRH3EPHX2L3MBTL1TDP1PDE4D
SCHEMBL22201774 0.73 LTA4H (0.47) EPHX2HTR2AHTR2CAGTR2PDE4D
SCHEMBL22201665 0.72 TSHR (0.45) HRH3EPHX2L3MBTL1TDP1PDE4D
SCHEMBL22201699 0.72 TSHR (0.41) EPHX2L3MBTL1TDP1CHRM3AGTR2
SCHEMBL22201768 0.71 SPHK1 (0.34) HRH3KMT2A
SCHEMBL317686 0.70 TSHR (0.58) HRH3L3MBTL1TDP1MEN1KMT2A
SCHEMBL941253 0.69 TSHR (0.56) HRH3L3MBTL1TDP1TSHR
SCHEMBL29098435 0.69 TSHR (0.56) HRH3L3MBTL1TDP1MEN1KMT2A

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