SCHEMBL1120328

SCHEMBL1120328

CC(C)(C)C1CC(c2nc(C(=O)Oc3cccc4ccccc34)cs2)CCN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CASP3 P42574 1/20 0.35
CASP8 Q14790 1/20 0.35
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
FAAH O00519 3/20 0.34
HCRTR2 O43614 1/20 0.33
PGR P06401 1/20 0.33
GAA P10253 1/20 0.33
PTGS1 P23219 1/20 0.33
MAPK1 P28482 1/20 0.33
MMP2 P08253 1/20 0.32

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
SCHEMBL1119995 0.84 RAB9A (0.43) RAB9AKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL1120131 0.82 HRH3 (0.33) RAB9AKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1120255 0.80 CASP3 (0.42) RAB9AKMT2AMEN1ALDH1A1MAPT
SCHEMBL1120331 0.79 GPR119 (0.44) FAAH
SCHEMBL12074812 0.79 KMT2A (0.43) RAB9AKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL2593942 0.79 SMYD3 (0.33) HCRTR2
SCHEMBL1966097 0.78 MTNR1A (0.34) RAB9AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1966094 0.78 MTNR1A (0.34) RAB9AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL3431702 0.78 MTNR1A (0.34) RAB9AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL17350987 0.78 GRM2 (0.39) KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280965-B1 THIAZOL-4-CARBOXYLIC ACID ESTERS AND THIOESTERS AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2012-08-29 EP disclosed
EP-2280965-A1 THIAZOL-4-CARBOXYLIC ACID ESTERS AND THIOESTERS AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2011-02-09 EP disclosed
WO-2009132785-A1 THIAZOL-4-CARBOXYLIC ACID ESTERS AND THIOESTERS AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT 2009-11-05 WO disclosed