SCHEMBL6029295

SCHEMBL6029295

CCCCCCCCC(CC(=O)O)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
F2R P25116 1/20 0.36
CACNA1A O00555 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNB1 Q02641 1/20 0.35
IDH1 O75874 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MMP1 P03956 4/20 0.34
MMP3 P08254 4/20 0.34
TACR3 P29371 1/20 0.33
POLB P06746 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 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
SCHEMBL224452 0.90 MMP2 (0.36) MMP2MMP9MMP12CACNA1ACACNA2D1
SCHEMBL15422730 0.89 CACNA1A (0.34) F2RCACNA1ACACNA2D1CACNB1IDH1
SCHEMBL29246895 0.85 F2R (0.34) F2RIDH1NPC1RAB9ATACR3
SCHEMBL31500431 0.84 F2R (0.33) F2RIDH1NPC1RAB9APOLB
SCHEMBL27170339 0.83 CACNA1A (0.43) F2RCACNA1ACACNA2D1CACNB1IDH1
SCHEMBL29721220 0.83 TDP1 (0.33) F2RIDH1NPC1RAB9APOLB
SCHEMBL5711712 0.83 TDP1 (0.33) F2RIDH1NPC1RAB9APOLB
SCHEMBL17491247 0.82 GPR84 (0.43) MMP2MMP9MMP12F2RCACNA1A
SCHEMBL17491362 0.82 GPR84 (0.43) MMP2MMP9MMP12F2RCACNA1A
SCHEMBL17491252 0.82 GPR84 (0.43) MMP2MMP9MMP12F2RCACNA1A

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
US-6987081-B2 Painted metal sheet for printing with a sublimation dye NISSHIN STEEL CO., LTD. (JP) 2006-01-17 US disclosed
US-20040151899-A1 Painted metal sheet for printing with a sublimation dye NISSHIN STEEL CO., LTD. 2004-08-05 US disclosed
US-6746986-B1 SUBSTRATE METAL SHEET WITH TOPCOAT OR CLEAR PAINT LAYER INCLUDING THERMOSETTING POLYESTER RESIN HAVING SPECIFIED MOLECULAR WEIGHT AND GLASS TRANSITION TEMPERATURE, AND MELAMINE, USED FOR TRANSFER-PRINTING COLORED DESIGN WITH DYE NISSHIN STEEL CO., LTD. (JP) 2004-06-08 US disclosed