SCHEMBL8499324

SCHEMBL8499324

CCCCCCCCC(CCCCCC)COc1cc[c]cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.42
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
NR5A1 Q13285 1/20 0.39
PLA2G4B P0C869 3/20 0.38
S1PR1 P21453 3/20 0.37
LMNA P02545 1/20 0.37
S1PR4 O95977 2/20 0.36
S1PR5 Q9H228 2/20 0.36
S1PR2 O95136 1/20 0.36
S1PR3 Q99500 1/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
LTA4H P09960 3/20 0.34
CTRC Q99895 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
SCHEMBL1610551 1.00 SLC2A1 (0.42) SLC2A1PRSS1PRSS2PRSS3NR5A1
SCHEMBL26087973 1.00 SLC2A1 (0.42) SLC2A1PRSS1PRSS2PRSS3NR5A1
SCHEMBL1469708 1.00 SLC2A1 (0.42) SLC2A1PRSS1PRSS2PRSS3NR5A1
SCHEMBL659128 0.87 ALDH1A1 (0.44) PRSS1PRSS2PRSS3LMNATSHR
SCHEMBL5713089 0.84 S1PR1 (0.50) SLC2A1NR5A1PLA2G4BS1PR1LMNA
SCHEMBL17640341 0.83 LTA4H (0.51) SLC2A1PRSS1PRSS2PRSS3PLA2G4B
SCHEMBL13007357 0.83 LTA4H (0.51) SLC2A1PRSS1PRSS2PRSS3PLA2G4B
SCHEMBL1931947 0.81 RARB (0.46) SLC2A1PRSS1PRSS2PRSS3NR5A1
SCHEMBL762240 0.81 SLC2A1 (0.46) SLC2A1PRSS1PRSS2PRSS3NR5A1
SCHEMBL20225053 0.81 SLC2A1 (0.46) SLC2A1PRSS1PRSS2PRSS3NR5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0903350-A1 Pyrrolotriazole derivative FUJI PHOTO FILM CO., LTD. (JP) 1999-03-24 EP disclosed
US-5508421-A Pyrrolotriazole azomethine dye, and heat transfer dye providing material containing a pyrrolotriazole azomethine dye FUJI PHOTO FILM CO., LTD. (JP) 1996-04-16 US disclosed
US-5362882-A Intermediates for dyes for polyesters, images for heat sensitive elements and electrography FUJI PHOTO FILM CO., LTD. (JP) 1994-11-08 US disclosed
EP-0518238-A1 Pyrrolotriazole derivative FUJI PHOTO FILM CO., LTD. (JP) 1992-12-16 EP disclosed