SCHEMBL6578550

SCHEMBL6578550

CCCCC(CC)CNC(=O)O.CCCCC(CC)CNC(=O)O.CCCCC(CC)CNC(=O)O.c1cnnnc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
HTT P42858 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GLA P06280 1/20 0.48
ALDH1A1 P00352 6/20 0.43
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 3/20 0.42
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MEN1 O00255 1/20 0.40
CA2 P00918 3/20 0.38
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL1931195 0.86 TSHR (0.57) TSHRHTTL3MBTL1GLAALDH1A1
SCHEMBL19873325 0.84 TSHR (0.55) TSHRHTTL3MBTL1GLAALDH1A1
Ammonia Solution, Strong SCHEMBL22444382 0.84 TSHR (0.55) TSHRHTTL3MBTL1GLAALDH1A1
SCHEMBL19873329 0.84 TSHR (0.55) TSHRHTTL3MBTL1GLAALDH1A1
SCHEMBL19873327 0.84 TSHR (0.55) TSHRHTTL3MBTL1GLAALDH1A1
SCHEMBL6578547 0.83 TSHR (0.48) TSHRHTTL3MBTL1GLAALDH1A1
Carbamic Acid SCHEMBL6285281 0.81 TSHR (0.52) TSHRHTTL3MBTL1GLAALDH1A1
SCHEMBL909838 0.78 ALDH1A1 (0.60) TSHRHTTL3MBTL1GLAALDH1A1
SCHEMBL31299226 0.76 HRH4 (0.50) TSHRHTTL3MBTL1GLAALDH1A1
SCHEMBL11086397 0.75 CYP2D6 (0.48) TSHRHTTL3MBTL1GLAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0930303-B1 A process for preparing isocyanate compounds from haloaminotriazines and acid halides CYTEC TECH CORP (US) 2004-02-04 EP disclosed
EP-0933371-B1 N-halo acid amides CYTEC TECH CORP (US) 2003-04-09 EP disclosed
EP-0565774-B1 Process for preparing amide derivatives from halominotriazines and acid halides CYTEC TECH CORP (US) 2001-03-28 EP disclosed
EP-0933369-A1 Tris-(omega-haloacyl)melamines CYTEC TECHNOLOGY CORP. (US) 1999-08-04 EP disclosed
EP-0933371-A1 N-halo acid amides CYTEC TECHNOLOGY CORP. (US) 1999-08-04 EP disclosed
EP-0933370-A1 Tris-(2,2,6,6-tetramethyl-piperid-4-yl-aminocarbonyl)melamine CYTEC TECHNOLOGY CORP. (US) 1999-08-04 EP disclosed
EP-0930303-A2 A process for preparing isocyanate compounds from haloaminotriazines and acid halides CYTEC TECHNOLOGY CORP. (US) 1999-07-21 EP disclosed
US-5571915-A Process for preparing amide derivatives from haloaminotriazines and acid halides CYTEC TECHNOLOGY CORP. (US) 1996-11-05 US disclosed
US-5405959-A Haloaminotraizines and acid halides CYTEC TECHNOLOGY CORP. (US) 1995-04-11 US disclosed
US-5288865-A Process for preparing amide derivatives from haloaminotriazines and acid halides AMERICAN CYANAMID COMPANY (US) 1994-02-22 US disclosed
EP-0565774-A2 Process for preparing amide derivatives from halominotriazines and acid halides CYTEC TECHNOLOGY CORP. (US) 1993-10-20 EP disclosed
EP-0541966-A2 Process for preparing amide derivatives from halomines and acid halides AMERICAN CYANAMID COMPANY (US) 1993-05-19 EP disclosed