SCHEMBL22201699

SCHEMBL22201699

CCC1CC2CC1CC2CCOCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
PDE4D Q08499 1/20 0.40
AGTR2 P50052 1/20 0.37
LTA4H P09960 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NAAA Q02083 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
EPHX2 P34913 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CHRM3 P20309 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL22201665 0.83 TSHR (0.45) TSHRPDE4DLTA4HTDP1L3MBTL1
SCHEMBL23533377 0.75 ALOX5 (0.43) TSHRPDE4DTDP1L3MBTL1EPHX2
SCHEMBL20185586 0.75 MEN1 (0.42) TSHRPDE4DAGTR2LTA4HTDP1
SCHEMBL28949979 0.75 ALOX5 (0.43) TSHRPDE4DTDP1L3MBTL1EPHX2
SCHEMBL6138270 0.74 TSHR (0.42) TSHRPDE4DAGTR2LTA4HTDP1
SCHEMBL13747479 0.73 HTR2C (0.46) TSHRPDE4DAGTR2LTA4HNAAA
SCHEMBL22201765 0.72 HRH3 (0.41) TSHRPDE4DAGTR2TDP1L3MBTL1
SCHEMBL26951529 0.72 ALDH1A1 (0.44) TSHRPDE4DAGTR2TDP1NAAA
SCHEMBL26951503 0.72 ALDH1A1 (0.44) TSHRPDE4DAGTR2TDP1NAAA
SCHEMBL22404572 0.71 AGTR2 (0.48) TSHRPDE4DAGTR2EPHX2ALDH1A1

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