SCHEMBL6340942

SCHEMBL6340942

COCC(=O)N(CCC(=O)OC)c1c(C)cccc1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
NLRP3 Q96P20 2/20 0.38
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
TP53 P04637 2/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL11357765 0.86 ALDH1A1 (0.51) TSHRKMT2AMEN1ALDH1A1GAA
SCHEMBL14320112 0.85 NLRP3 (0.39) KMT2AMEN1NLRP3ALDH1A1GAA
SCHEMBL9674982 0.84 TSHR (0.41) TSHRKMT2AMEN1ALDH1A1GAA
SCHEMBL28269636 0.84 TP53 (0.42) KMT2AMEN1NLRP3ALDH1A1GAA
SCHEMBL11013127 0.83 KMT2A (0.34) TSHRKMT2AMEN1ALDH1A1GAA
SCHEMBL9674976 0.82 TSHR (0.40) TSHRKMT2AMEN1ALDH1A1GAA
SCHEMBL11360807 0.82 TRPM8 (0.50) TSHRKMT2AMEN1ALDH1A1GAA
SCHEMBL12849974 0.80 SMN1; SMN2 (0.47) TSHRKMT2ANLRP3ALDH1A1GAA
SCHEMBL11011204 0.79 ALDH1A1 (0.46) TSHRKMT2AMEN1ALDH1A1GAA
SCHEMBL11066840 0.79 TP53 (0.46) KMT2AMEN1NLRP3ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111551605-A Preparation method of metalaxyl molecular imprinting electrochemical sensor 盐城工学院 2020-08-18 CN disclosed
US-6951075-B2 Pigment concentrates for coloring seeds CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-10-04 US disclosed
US-6688041-B2 Pigment concentrates for coloring seeds CIBA SPECIALTY CHEMICALS CORPORATION 2004-02-10 US disclosed
US-20030221365-A1 Pigment concentrates for coloring seeds CIBA SPECIALTY CHEMICALS CORP. 2003-12-04 US disclosed
EP-1261246-A2 PIGMENT CONCENTRATES FOR COLORING SEEDS Ciba SC Holding AG (CH) 2002-12-04 EP disclosed
CN-1378782-A Agricultural bactericide series prepared from raw powder of hymexazol as main raw material UNIV GUIZHOU (CN) 2002-11-13 CN disclosed
US-20010036550-A1 Pigment concentrates for coloring seeds CIBA SPECIALTY CHEMICALS CORP. 2001-11-01 US disclosed
WO-2001065914-A2 PIGMENT CONCENTRATES FOR COLORING SEEDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-09-13 WO disclosed
CN-1247704-A Hymexazol production method and agricultural bactericide set with hymexazol as main material UNIV GUIZHOU (CN) 2000-03-22 CN disclosed