SCHEMBL6847398

SCHEMBL6847398

CCCCCCOc1cc(OCCCCCC)c([N+]#N)c(OCCCCCC)c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.39
THRB P10828 3/20 0.35
S1PR3 Q99500 1/20 0.35
THRA P10827 1/20 0.35
ELANE P08246 1/20 0.35
FUT7 Q11130 1/20 0.34
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP19A1 P11511 4/20 0.33
BLM P54132 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
TSHR P16473 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 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
SCHEMBL7513550 0.85 S1PR3 (0.40) PLA2G2AS1PR3ALDH1A1GAATSHR
SCHEMBL6842288 0.84 MAPK1 (0.34) ALDH1A1GAAMAPTTSHRCA12
SCHEMBL92103 0.81 PLA2G2A (0.50) PLA2G2AHPGDALDH1A1BLMTSHR
SCHEMBL12535684 0.79 PLA2G2A (0.45) PLA2G2ATHRBTHRABLMTSHR
SCHEMBL12083487 0.78 PLA2G2A (0.39) PLA2G2ATHRBTHRAHPGDALDH1A1
SCHEMBL92094 0.75 PLA2G2A (0.41) PLA2G2AELANETSHRCA12CA1
SCHEMBL15372495 0.73 PLA2G2A (0.41) PLA2G2ATHRBTHRAHPGDALDH1A1
SCHEMBL12083482 0.72 CYP1A2 (0.38) THRBELANEALDH1A1CYP19A1GAA
SCHEMBL13604290 0.72 NR5A1 (0.49) PLA2G2ABLM
SCHEMBL7520689 0.72 TSHR (0.39) THRBS1PR3THRAALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699638-B2 ON A THERMAL CROSSLINKING LAYER A WATER SOLUBLE OVERCOAT LAYER, AND AT LEAST ONE OF THESE LAYERS CONTAINS A COMPOUND CAPABLE OF CONVERTING LIGHT INTO HEAT; EASY TO HANDLE AND CAUSES NO DEFECTS EVEN WHEN TOUCHED WITH FINGERS FUJI PHOTO FILM CO., LTD. (JP) 2004-03-02 US disclosed
US-20010031423-A1 On a thermal crosslinking layer a water soluble overcoat layer, and at least one of these layers contains a compound capable of converting light into heat; easy to handle and causes no defects even when touched with fingers FUJIFILM CORPORATION (JP) 2001-10-18 US disclosed