SCHEMBL28533367

SCHEMBL28533367

CC(C)C[Si]([O])(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 4/20 0.33
ELANE P08246 1/20 0.33
MAPT P10636 3/20 0.32
SLC6A2 P23975 2/20 0.32
MAOA P21397 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP2A6 P11509 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 2/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL3885758 0.76 MAOA (0.35) TAAR1MEN1KMT2AALDH1A1SLC6A2
SCHEMBL26998626 0.74 ESR1 (0.37) TAAR1MEN1KMT2AELANEMAPT
SCHEMBL3971800 0.73 MAPT (0.39) ALDH1A1ELANEMAPTTSHRESR1
SCHEMBL29231992 0.73 TAAR1 (0.32) TAAR1MEN1KMT2ASLC6A2MAOA
SCHEMBL6114164 0.73 MAPT (0.32) TAAR1MEN1KMT2AMAPTSLC6A2
SCHEMBL273159 0.73 ESR1 (0.35) TAAR1ALDH1A1MAPTSLC6A2MAOA
SCHEMBL5030059 0.73 AOC3 (0.33) TAAR1MEN1KMT2AALDH1A1ELANE
SCHEMBL949471 0.73 AOC3 (0.33) TAAR1MEN1KMT2AALDH1A1SLC6A2
SCHEMBL1315704 0.73 AOC3 (0.33) TAAR1MEN1KMT2AALDH1A1SLC6A2
SCHEMBL273106 0.73 ESR1 (0.35) TAAR1ALDH1A1MAPTSLC6A2MAOA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112430268-A Cancer markers and methods of use thereof 中央研究院 2021-03-02 CN disclosed
CN-107430127-B Cancer markers and methods of use thereof 中央研究院 2020-08-28 CN disclosed