SCHEMBL7536082

SCHEMBL7536082

CC([O])OCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 6/20 0.46
SLC1A2 P43004 6/20 0.46
SLC1A1 P43005 6/20 0.46
LMNA P02545 1/20 0.37
FFAR1 O14842 1/20 0.34
CTSK P43235 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL4592508 0.93
SCHEMBL4592750 0.88
SCHEMBL11225908 0.81 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1LMNACTSK
SCHEMBL10274539 0.81 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1LMNACTSK
SCHEMBL5839317 0.78 CYP1A2 (0.40) CYP1A2
SCHEMBL11965851 0.78 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1LMNACTSK
SCHEMBL25157615 0.77 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1LMNAFFAR1
SCHEMBL10228470 0.77 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1LMNAFFAR1
SCHEMBL10068895 0.77 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1LMNA
SCHEMBL17011560 0.77 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1CTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711760-B1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2002-05-15 EP disclosed
EP-0882720-B1 METHODS FOR MODIFYING 1,3,5-TRIAZINE DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2001-08-22 EP disclosed
US-6130332-A USING A GROUP 8 METAL CATALYST AND ALDEHYDES OR KETONE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-10 US disclosed
US-6127538-A HYDROXYALKYLATION OF A TRIAMINO TRIAZINE DERIVATIVE HAVING AT LEAST ONE REACTIVE NITROGEN BY REACTING WHILE HEATING WITH AN ALKANEDIOL OR ITS ADDUCT IN THE PRESENCE OF HYDROGEN AND A METAL CATALYST; BY-PRODUCT INHIBITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-03 US disclosed
EP-0882720-A1 METHODS FOR MODIFYING 1,3,5-TRIAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-12-09 EP disclosed
US-5792867-A Method of alkylating of triazine derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-11 US disclosed
EP-0760369-A1 PROCESS FOR ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-05 EP disclosed
EP-0711760-A1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-15 EP disclosed