SCHEMBL14940404

SCHEMBL14940404

N[CH]C(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.65
LMNA P02545 2/20 0.61
ALDH1A1 P00352 5/20 0.57
CA12 O43570 3/20 0.56
CA9 Q16790 3/20 0.56
AKR1B10 O60218 2/20 0.56
AKR1B1 P15121 2/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA5A P35218 1/20 0.56
CA7 P43166 1/20 0.56
CA14 Q9ULX7 1/20 0.56
CA5B Q9Y2D0 1/20 0.56
TDP1 Q9NUW8 2/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KMT2A Q03164 1/20 0.55
TTR P02766 1/20 0.50

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
SCHEMBL27671118 0.85 HCAR2 (0.71) HCAR2LMNAALDH1A1CA12CA9
SCHEMBL337503 0.83 HCAR2 (0.89) HCAR2LMNAALDH1A1CA12CA9
SCHEMBL337504 0.83 HCAR2 (0.89) HCAR2LMNAALDH1A1CA12CA9
SCHEMBL357565 0.83 HCAR2 (0.89) HCAR2LMNAALDH1A1CA12CA9
SCHEMBL9395526 0.83 HCAR2 (0.69) HCAR2LMNAALDH1A1CA12CA9
SCHEMBL27659194 0.82 HCAR2 (0.85) HCAR2LMNAALDH1A1CA12CA9
SCHEMBL26288 0.82 HCAR2 (0.67) HCAR2LMNAALDH1A1CA12CA9
SCHEMBL9001891 0.81 HCAR2 (0.61) HCAR2LMNAALDH1A1CA12CA9
SCHEMBL11562796 0.81 HCAR2 (0.61) HCAR2LMNAALDH1A1CA12CA9
SCHEMBL219575 0.80 HCAR2 (0.65) HCAR2LMNAALDH1A1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013130684-A1 XTEN-FOLATE CONJUGATE COMPOSITIONS AND METHODS OF MAKING SAME AMUNIX OPERATING INC. (US) 2013-09-06 WO claimed
CN-1343206-A Cyclocompound FUJISAWA PHARMACEUTICAL CO (JP) 2002-04-03 CN claimed
CN-108779497-A Podocalyxin and TRA-related antibodies, methods of preparation and use as anti-cancer therapeutics 库雷梅塔治疗有限责任公司 2018-11-09 CN disclosed
EP-3003387-A1 COMPOSITIONS AND METHODS FOR CONJUGATING ACTIVATABLE ANTIBODIES Cytomx Therapeutics Inc. (US) 2016-04-13 EP disclosed
WO-2014197612-A9 COMPOSITIONS AND METHODS FOR CONJUGATING ACTIVATABLE ANTIBODIES CYTOMX THERAPEUTICS, INC. (US) 2015-03-19 WO disclosed
WO-2014197612-A1 COMPOSITIONS AND METHODS FOR CONJUGATING ACTIVATABLE ANTIBODIES CYTOMX THERAPEUTICS, INC. (US) 2014-12-11 WO disclosed
EP-2776470-A2 ANTIBODIES SPECIFIC FOR TROP-2 AND THEIR USES Rinat Neuroscience Corporation (US) 2014-09-17 EP disclosed
WO-2013068946-A2 ANTIBODIES SPECIFIC FOR TROP-2 AND THEIR USES RINAT NEUROSCIENCE CORP. (US) 2013-05-16 WO disclosed
CN-101328163-A Compounds, compositions and methods SMITHKLINE BEECHAM CORP (US) 2008-12-24 CN disclosed
CN-100381437-C Compounds, compositions and methods CYTOKINETICS INC (US) 2008-04-16 CN disclosed
CN-1747732-A 2-aminocarbonyl-quinoline compounds as platelet adenosine diphosphate receptor antagonists SCHERING AG (DE) 2006-03-15 CN disclosed
CN-1662508-A Compounds, compositions and methods CYTOKINETICS INC (US) 2005-08-31 CN disclosed
CN-1489588-A Thiazolyl-oxazolyl-pyrrolyl-and imidazolyl-acid amide derivatives useful as inbibitors of PDE 4 isozymes �Ʒ� 2004-04-14 CN disclosed
CN-1131216-C Condensed 1, 2-indanes and their pharmaceutically acceptable salts, process for their preparation and their use TAIHO PHARMACEUTICAL CO LTD (JP) 2003-12-17 CN disclosed
CN-1343206-A Cyclocompound FUJISAWA PHARMACEUTICAL CO (JP) 2002-04-03 CN disclosed
CN-1331674-A Sulfonamide hydroxamates HOFFMANN LA ROCHE (CH) 2002-01-16 CN disclosed
CN-1130903-A Condensed 1,2-indene dihydride and its salt for medicine TAIHO PHARMACEUTICAL CO LTD (JP) 1996-09-11 CN disclosed