SCHEMBL7747812

SCHEMBL7747812

O=C(NC(c1ccccc1)C(O)C(=O)S)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.63
HPGD P15428 1/20 0.63
HDAC1 Q13547 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.51
TP53 P04637 1/20 0.51
CTRB1 P17538 2/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
HPGDS O60760 1/20 0.46
EPHX2 P34913 1/20 0.42
SLC1A2 P43004 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42

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
SCHEMBL1271236 0.86 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL4164616 0.86 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL27882748 0.86 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL8108955 0.86 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL6277 0.86 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL530337 0.86 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL8633730 0.85 LMNA (0.48) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL28442347 0.85 LMNA (0.65) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
Water SCHEMBL8429009 0.85 LMNA (0.65) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL7747815 0.83 LMNA (0.63) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1

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