SCHEMBL7748946

SCHEMBL7748946

O=C(Nc1c(O)cccc1-c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
LMNA P02545 2/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
PTPN1 P18031 2/20 0.47
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
BCL2L1 Q07817 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDR P35968 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
DEGS1 O15121 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL21480122 0.90 KMT2A (0.57) KMT2AMEN1LMNAHSP90AA1HSP90AB1
SCHEMBL4039962 0.86 KMT2A (0.58) KMT2AMEN1LMNAHDAC1HDAC2
SCHEMBL17796920 0.84 ALDH1A1 (0.52) KMT2AMEN1HDAC2ALDH1A1HPGD
SCHEMBL6073016 0.83 ALDH1A1 (0.56) KMT2AMEN1LMNAHDAC1HDAC2
SCHEMBL21480227 0.82 KMT2A (0.50) KMT2AMEN1LMNAHDAC1HDAC2
SCHEMBL22606887 0.81 NPC1 (0.56) KMT2AMEN1LMNAKCNK3KCNK9
SCHEMBL1504999 0.80 KMT2A (0.46) KMT2AMEN1LMNAHSP90AA1HSP90AB1
SCHEMBL16203451 0.78 LMNA (0.77) KMT2AMEN1LMNAHSP90AA1HSP90AB1
SCHEMBL9809483 0.78 HDAC1 (0.59) KMT2AMEN1LMNAHDAC1HDAC2
SCHEMBL21933933 0.76 LMNA (0.68) KMT2AMEN1LMNAHSP90AA1HSP90AB1

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 3 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