SCHEMBL7747868

SCHEMBL7747868

CC(C)(C)[Si](C)(C)OC(C(=S)Oc1ccccc1)C(NC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 7/20 0.42
HDAC1 Q13547 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CTRB1 P17538 3/20 0.36
PRSS1 P07477 2/20 0.36
CTSG P08311 2/20 0.36
CMA1 P23946 2/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EPHX1 P07099 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL7747788 1.00 LMNA (0.44) LMNAHPGDALDH1A1HDAC1L3MBTL1
SCHEMBL7750524 1.00 LMNA (0.44) LMNAHPGDALDH1A1HDAC1L3MBTL1
SCHEMBL4185708 0.86 LMNA (0.50) LMNAHPGDALDH1A1HDAC1SMN1; SMN2
SCHEMBL7747431 0.77 CTSK (0.42) ALDH1A1ATMMAPT
SCHEMBL2787921 0.77 LMNA (0.48) LMNAHPGDALDH1A1HDAC1SMN1; SMN2
SCHEMBL7743253 0.76 LMNA (0.55) LMNAHPGDALDH1A1HDAC1SMN1; SMN2
SCHEMBL7748967 0.76 LMNA (0.55) LMNAHPGDALDH1A1HDAC1SMN1; SMN2
SCHEMBL8635229 0.76 LMNA (0.55) LMNAHPGDALDH1A1HDAC1SMN1; SMN2
SCHEMBL7748884 0.76 LMNA (0.55) LMNAHPGDALDH1A1HDAC1SMN1; SMN2
SCHEMBL8635675 0.76 LMNA (0.55) LMNAHPGDALDH1A1HDAC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0776322-B1 METHOD FOR THE PREPARATION OF TAXOL AND ITS DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2001-11-07 EP disclosed
EP-1116718-A2 Method for the preparation of taxol and its derivatives PHARMACIA & UPJOHN S.p.A. (IT) 2001-07-18 EP disclosed
US-5767282-A Method for the preparation of taxol and its derivatives PHARMACIA & UPJOHN S.P.A. (IT) 1998-06-16 US disclosed
EP-0776322-A1 METHOD FOR THE PREPARATION OF TAXOL AND ITS DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1997-06-04 EP disclosed
WO-1997000870-A1 METHOD FOR THE PREPARATION OF TAXOL AND ITS DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1997-01-09 WO disclosed