SCHEMBL2336417

SCHEMBL2336417

NC(O)(Cc1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.67
HIF1A Q16665 1/20 0.67
SLC6A2 P23975 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
FDPS P14324 1/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP2C9 P11712 3/20 0.48
CES1 P23141 2/20 0.48
CES2 O00748 1/20 0.48
AKR1B1 P15121 1/20 0.48
ARG1 P05089 1/20 0.47
ARG2 P78540 1/20 0.47
BLM P54132 1/20 0.44
MMP8 P22894 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SLC1A3 P43003 3/20 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
SCHEMBL16816903 1.00 SMN1; SMN2 (0.67) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
SCHEMBL17498702 1.00 SMN1; SMN2 (0.67) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
Acetone SCHEMBL12483000 0.94 SMN1; SMN2 (0.60) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
SCHEMBL20049736 0.85 SMN1; SMN2 (0.59) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
SCHEMBL17768418 0.83 BLM (0.65) SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2
SCHEMBL28966331 0.83 BLM (0.65) SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2
SCHEMBL3151239 0.80 SMN1; SMN2 (1.00) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
SCHEMBL8351006 0.80 SMN1; SMN2 (0.69) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
SCHEMBL1081531 0.80 SMN1; SMN2 (0.69) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
SCHEMBL8219953 0.79 GRM2 (0.53) SMN1; SMN2HIF1ATAAR1CES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240148723-A1 MYCOBACTERIUM TUBERCULOSIS COMPOSITIONS AND METHODS PZA INNOVATION LLC 2024-05-09 US disclosed
CN-114761026-A Compositions and methods for in vivo synthesis of non-native polypeptides 斯克利普斯研究所 2022-07-15 CN disclosed
CN-114746099-A Eukaryotic semisynthetic organisms 斯克利普斯研究所 2022-07-12 CN disclosed
CN-112500466-B Peptidomimetic macrocycles 艾瑞朗医疗公司 2022-05-03 CN disclosed
US-20190144406-A1 CRYSTALLINE FORMS OF DIMETHOXY DOCETAXEL AND METHODS FOR PREPARING THE SAME AVENTIS PHARMA SA (FR) 2019-05-16 US 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-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
CN-1204329-A (2R,3S) -3-tert-butoxycarbonylamino-2-hydroxy-3-phenylpropionic acid taxol-11-en-13 alpha-ester dihydrate and preparation method thereof RHONE POULENC RORER SA (FR) 1999-01-06 CN disclosed