SCHEMBL7054346

SCHEMBL7054346

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.51
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 3/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.47
NPC1 O15118 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 3/20 0.43
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 2/20 0.43

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
SCHEMBL7054341 1.00 L3MBTL1 (0.51) L3MBTL1ATMNPSR1POLBHTT
SCHEMBL91606 0.81 L3MBTL1 (0.59) L3MBTL1ATMNPSR1POLBHTT
SCHEMBL6230959 0.81 ALDH1A1 (0.47) POLBKMT2ATSHRALDH1A1MAPT
SCHEMBL10071740 0.79 KMT2A (0.57) L3MBTL1ATMNPSR1POLBHTT
SCHEMBL7720266 0.78 TSHR (0.52) L3MBTL1ATMNPSR1POLBHTT
SCHEMBL7829343 0.77 MAPT (0.35) L3MBTL1ATMNPSR1KMT2ASMN1; SMN2
SCHEMBL13189971 0.77 LMNA (0.40) L3MBTL1NPSR1HTTKMT2AMEN1
SCHEMBL9066674 0.75 ATM (0.74) L3MBTL1ATMNPSR1POLBHTT
SCHEMBL13241608 0.75 KMT2A (0.35) NPSR1KMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL27534620 0.73 L3MBTL1 (0.57) L3MBTL1ATMNPSR1POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811629-B1 OPTICALLY ACTIVE BIDENTATE PHOSPHINE LIGAND/PALLADIUM COMPLEX NISSAN CHEMICAL IND LTD (JP) 2003-05-02 EP disclosed
US-5880301-A CATALYSTS FOR PREPARATION OF OPTICALLY ACTIVE BETA-HYDROXYKETONES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-09 US disclosed
EP-0811629-A1 OPTICALLY ACTIVE BIDENTATE PHOSPHINE LIGAND/PALLADIUM COMPLEX NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-12-10 EP disclosed
US-4448980-A BY CARBONYLATION WITH BIFLUORIDE CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-05-15 US disclosed