SCHEMBL9728598

SCHEMBL9728598

CN(CCCC=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.39
TSHR P16473 2/20 0.39
EPHX2 P34913 6/20 0.35
MAPT P10636 1/20 0.33
FAAH O00519 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL23703827 0.91 EPHX2 (0.44) HIF1ATSHREPHX2MAPTFAAH
SCHEMBL2552628 0.91 EPHX2 (0.44) HIF1ATSHREPHX2MAPTFAAH
SCHEMBL2332433 0.86
SCHEMBL28903229 0.80 NOS3 (0.38) EPHX2NOS3NOS1NOS2ALDH1A1
SCHEMBL21815374 0.80 NOS3 (0.38) TSHREPHX2NOS3NOS1NOS2
SCHEMBL8376071 0.78 EPHX2 (0.40) TSHREPHX2NOS3NOS1NOS2
SCHEMBL30957285 0.78 EPHX2 (0.40) TSHREPHX2NOS3NOS1NOS2
SCHEMBL15103300 0.78 EPHX2 (0.40) TSHREPHX2NOS3NOS1NOS2
SCHEMBL16098323 0.77 HIF1A (0.35) HIF1ATSHRMAPT
SCHEMBL17117118 0.77 EPHX2 (0.35) HIF1ATSHREPHX2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131690-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2023-07-13 WO disclosed
EP-3131586-A1 TARGETED THERAPEUTICS Synta Pharmaceuticals Corp. (US) 2017-02-22 EP disclosed
EP-3129064-A2 TARGETED THERAPEUTICS Synta Pharmaceuticals Corp. (US) 2017-02-15 EP disclosed
EP-3035938-A1 TARGETED THERAPEUTICS Synta Pharmaceuticals Corp. (US) 2016-06-29 EP disclosed
WO-2015143004-A1 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. (US) 2015-09-24 WO disclosed
WO-2015134464-A2 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. (US) 2015-09-11 WO disclosed
WO-2015038649-A1 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. (US) 2015-03-19 WO disclosed
EP-2838909-A2 TARGETED THERAPEUTICS Synta Pharmaceuticals Corp. (US) 2015-02-25 EP disclosed
WO-2013158644-A2 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. (US) 2013-10-24 WO disclosed
US-5130312-A Gastrointestinal motility stimulators JANSSEN PHARMACEUTICA N.V. (BE) 1992-07-14 US disclosed