SCHEMBL2336410

SCHEMBL2336410

NOC(=O)C(O)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 4/20 0.55
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
CYP1A2 P05177 1/20 0.48
EPHX1 P07099 2/20 0.46
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
PSAT1 Q9Y617 2/20 0.45
MDM2 Q00987 1/20 0.44
SLC15A1 P46059 2/20 0.44
LAP3 P28838 3/20 0.43
LTA4H P09960 1/20 0.43
ANPEP P15144 1/20 0.43
CPA1 P15085 1/20 0.43
CPA3 P15088 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
Acetone SCHEMBL12482998 0.95 SRR (0.50) SRRALPIPKMPTGS1XIAP
SCHEMBL5994752 0.81 SRR (0.47) SRRALPIPKMPTGS1XIAP
SCHEMBL8218506 0.81 METAP2 (0.48) SRRANPEP
SCHEMBL262278 0.81 ALDH1A1 (0.55) SRRCYP1A2SLC15A1LAP3LTA4H
SCHEMBL979240 0.81 KMT2A (0.55) CYP1A2LTA4H
SCHEMBL4219709 0.81 ALDH1A1 (0.55) SRRCYP1A2SLC15A1LAP3LTA4H
SCHEMBL14543781 0.81 CYP1A2 (0.48) SRRALPIPKMPTGS1XIAP
SCHEMBL180159 0.81 KMT2A (0.55) CYP1A2LTA4H
SCHEMBL299389 0.81 SLC7A5 (0.66) SRRALPIPKMPTGS1XIAP
SCHEMBL5968413 0.81 SLC7A5 (0.66) SRRALPIPKMPTGS1XIAP

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-20190144406-A1 CRYSTALLINE FORMS OF DIMETHOXY DOCETAXEL AND METHODS FOR PREPARING THE SAME AVENTIS PHARMA SA (FR) 2019-05-16 US disclosed
CN-105899491-B 1-pyridazine-/triazin-3-yl-piperazine (-oxazine)/pyridine/pyrrolidine derivatives and compositions thereof for inhibiting SHP2 activity 诺华股份有限公司 2019-04-02 CN disclosed
CN-105899493-B For inhibiting the active 1- of SHP2 (triazine -3- base/pyridazine -3- base)-piperazine (- piperazine) piperidine derivatives and combinations thereof 诺华股份有限公司 2019-03-29 CN disclosed
US-10160739-B2 Crystalline forms of dimethoxy docetaxel and methods for preparing the same AVENTIS PHARMA S.A. (FR) 2018-12-25 US disclosed
US-20180002302-A1 CRYSTALLINE FORMS OF DIMETHOXY DOCETAXEL AND METHODS FOR PREPARING THE SAME AVENTIS PHARMA S.A. (FR) 2018-01-04 US disclosed
EP-2964212-A1 CABAZITAXEL AND ITS USE FOR TREATING METASTATIC PROSTATE CANCERS Aventis Pharma S.A. (FR) 2016-01-13 EP disclosed
WO-2014135524-A1 CABAZITAXEL AND ITS USE FOR TREATING METASTATIC PROSTATE CANCERS AVENTIS PHARMA S.A. (FR) 2014-09-12 WO disclosed
WO-2012160568-A1 PROCESS FOR PREPARING DOCETAXEL TRIHYDRATE POLYMORPH SHILPA MEDICARE LIMITED (IN) 2012-11-29 WO disclosed
WO-2012113897-A1 ANTITUMORAL COMBINATION COMPRISING CABAZITAXEL AND CISPLATIN AVENTIS PHARMA S.A. (FR) 2012-08-30 WO disclosed
EP-2358693-A2 PREPARATION OF DOCETAXEL Dr. Reddy's Laboratories, Ltd. (IN) 2011-08-24 EP disclosed
WO-2010059916-A2 PREPARATION OF DOCETAXEL DR. REDDY'S LABORATORIES LTD. (IN) 2010-05-27 WO disclosed