SCHEMBL6348996

SCHEMBL6348996

CCC(C)(CC)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.56
CTNNB1 P35222 1/20 0.56
HTR2A P28223 1/20 0.52
GAA P10253 1/20 0.51
MGLL Q99685 2/20 0.50
ALDH1A1 P00352 5/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP3A4 P08684 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PKM P14618 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
ELANE P08246 1/20 0.43
CYP1A2 P05177 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
SCHEMBL15487902 0.91 BCL9 (0.50) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL6359040 0.88 BCL9 (0.56) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL19315978 0.86 HTR2A (0.46) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL1461897 0.84 ELANE (0.60) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL763093 0.84 BCL9 (0.54) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL28561747 0.82 HTR2A (0.53) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL903436 0.82 BCL9 (0.52) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL2721445 0.82 GAA (0.54) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL31488048 0.81 BCL9 (0.51) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL6348206 0.81 BCL9 (0.51) BCL9CTNNB1HTR2AGAAMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911549-B1 Method of preparing a taxol derivative SANOFI (FR) 2005-06-28 US disclosed
EP-0674630-B1 7-HALO- AND 7$g(b),8$g(b)-METHANO-TAXOLS, ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM UPJOHN CO (US) 2002-10-23 EP disclosed
EP-0703909-B1 DELTA 6,7 -TAXOLS ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM UPJOHN CO (US) 2000-04-26 EP disclosed
EP-0982302-A2 Delta 6,7-taxols antineoplastic use and pharmaceutical compositions containing them PHARMACIA & UPJOHN COMPANY (US) 2000-03-01 EP disclosed
EP-0982301-A2 Delta 6,7-taxols antineoplastic use and pharmaceutical compositions containing them PHARMACIA & UPJOHN COMPANY (US) 2000-03-01 EP disclosed
US-5965739-A OXAZOLIDINE PROTECTED TAXOL ANALOGS OF GIVEN FORMULA, AND METHODS OF SYNTHESIS FROM AN OXAZOLIDINE FREE ACID AND A BACCATIN COMPOUND IN THE PRESENCE OF A DEHYDRATING AGENT; USEFUL INTERMEDIATES TO MAKE VARIOUS TAXOL ANALOGUES PHARMACIA & UPJOHN COMPANY (US) 1999-10-12 US disclosed
US-5556878-A Δ6,7 -taxols antineoplatic use and pharmaceutical compositions containing them THE UPJOHN COMPANY (US) 1996-09-17 US disclosed
EP-0703909-A1 $g(D)?6,7 -TAXOLS ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACIA & UPJOHN COMPANY (US) 1996-04-03 EP disclosed
EP-0674630-A1 7-HALO- AND 7$g(b),8$g(b)-METHANO-TAXOLS, ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACIA & UPJOHN COMPANY (US) 1995-10-04 EP disclosed
WO-1994029288-A1 Δ6,7-TAXOLS ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THE UPJOHN COMPANY (US) 1994-12-22 WO disclosed
WO-1994013655-A1 7-HALO- AND 7β,8β-METHANO-TAXOLS, ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THE UPJOHN COMPANY (US) 1994-06-23 WO disclosed