SCHEMBL8633109

SCHEMBL8633109

CNC[C@H](C(=O)O)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.37
APAF1 O14727 2/20 0.36
ALDH1A1 P00352 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
GRM7 Q14831 1/20 0.32
NR4A2 P43354 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
SCHEMBL8430109 0.82 SLC1A3 (0.36) TAAR1APAF1MEN1KMT2ATSHR
SCHEMBL8633102 0.75 KMT2A (0.48) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL8631335 0.71
SCHEMBL8633106 0.68 SLC1A3 (0.37) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL16057295 0.65 SLC1A3 (0.46) KDM4ETDP1
SCHEMBL708488 0.65 ALDH1A1 (0.35) TAAR1ALDH1A1LMNATDP1TSHR
SCHEMBL16057294 0.65 SLC1A3 (0.46) KDM4ETDP1
SCHEMBL17476051 0.65 SLC1A3 (0.46) KDM4ETDP1
SCHEMBL706260 0.64 ESR1 (0.37) ALDH1A1LMNATDP1TSHRL3MBTL1
SCHEMBL4275381 0.63 MAPT (0.35) TAAR1ALDH1A1KDM4ELMNATSHR

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-5712388-A Method of preparing a derivative of optically active azetidin-2-one TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-01-27 US disclosed