SCHEMBL22201799

SCHEMBL22201799

CCCC1CC2CCC1CCC2COC(=O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PAM P19021 1/20 0.41
TSHR P16473 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38

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
SCHEMBL22201769 0.78 MGLL (0.47) MGLLALDH1A1MAPK1L3MBTL1PAM
SCHEMBL22201760 0.75 MGLL (0.46) MGLLALDH1A1MAPK1L3MBTL1PAM
SCHEMBL29071173 0.73 MGLL (0.52) MGLLALDH1A1MAPK1L3MBTL1PAM
SCHEMBL14274359 0.71 ALDH1A1 (0.59) MGLLALDH1A1MAPK1L3MBTL1PAM
SCHEMBL19020350 0.69 CYP19A1 (0.53) MGLLALDH1A1MAPK1L3MBTL1PAM
SCHEMBL3357147 0.68 MGLL (0.52) MGLLALDH1A1MAPK1L3MBTL1PAM
SCHEMBL22201708 0.68 MGLL (0.43) MGLLALDH1A1MAPK1L3MBTL1PAM
SCHEMBL650649 0.67 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL2905585 0.67 MGLL (0.55) MGLLALDH1A1MAPK1L3MBTL1PAM
SCHEMBL1873977 0.67 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1PAMTSHR

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