SCHEMBL6607452

SCHEMBL6607452

N#CC(O)[C@@H](NC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
HPGD P15428 1/20 0.61
HDAC1 Q13547 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.50
CTRB1 P17538 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
HPGDS O60760 1/20 0.45
S1PR4 O95977 1/20 0.44
S1PR3 Q99500 1/20 0.44
TSHR P16473 1/20 0.43
CTSL P07711 4/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
CTSB P07858 1/20 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
Water SCHEMBL8429009 0.80 LMNA (0.65) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL8064650 0.79 ALDH1A1 (0.43) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL530337 0.78 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL4164616 0.78 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL27882748 0.78 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL12104795 0.78 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL8108955 0.78 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL6277 0.78 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL1271236 0.78 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL9848415 0.78 LMNA (0.53) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1114815-B1 Process to prepare taxol UPJOHN CO (US) 2004-09-29 EP claimed
EP-1114815-A2 Process to prepare taxol PHARMACIA & UPJOHN COMPANY (US) 2001-07-11 EP claimed
EP-0912504-A1 PROCESS TO PREPARE TAXOL PHARMACIA & UPJOHN COMPANY (US) 1999-05-06 EP claimed
CN-1216039-A Process for preparing taxol UPJOHN CO (US) 1999-05-05 CN claimed
WO-1997042167-A1 PROCESS TO PREPARE TAXOL PHARMACIA & UPJOHN COMPANY (US) 1997-11-13 WO claimed
EP-1114815-B1 Process to prepare taxol UPJOHN CO (US) 2004-09-29 EP disclosed
EP-1352900-A1 Process to prepare taxol PHARMACIA & UPJOHN COMPANY (US) 2003-10-15 EP disclosed
EP-1352899-A1 Process to prepare taxol PHARMACIA & UPJOHN COMPANY (US) 2003-10-15 EP disclosed
EP-0912504-B1 Oxazolidine ester UPJOHN CO (US) 2002-09-11 EP disclosed
US-6307064-B1 PHENYLISOSERINE ESTER OF SILYLATED BACCATIN III PHARMACIA & UPJOHN COMPANY 2001-10-23 US disclosed
EP-1114815-A2 Process to prepare taxol PHARMACIA & UPJOHN COMPANY (US) 2001-07-11 EP disclosed
US-6177573-B1 Process to prepare taxol PHARMACIA & UPJOHN COMPANY 2001-01-23 US disclosed
US-6057452-A Process to prepare taxol PHARMACIA & UPJOHN COMPANY 2000-05-02 US disclosed
EP-0912504-A1 PROCESS TO PREPARE TAXOL PHARMACIA & UPJOHN COMPANY (US) 1999-05-06 EP disclosed
CN-1216039-A Process for preparing taxol UPJOHN CO (US) 1999-05-05 CN disclosed
WO-1997042167-A1 PROCESS TO PREPARE TAXOL PHARMACIA & UPJOHN COMPANY (US) 1997-11-13 WO disclosed