SCHEMBL7208734

SCHEMBL7208734

CCCCCC(C)(C)c1ccc(OCCCC)c(SSc2cc(C(C)(C)CCCCC)ccc2OCCCC)c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.46
CNR1 P21554 14/20 0.46
ESR1 P03372 3/20 0.46

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
SCHEMBL55765 0.81 CNR2 (0.47) CNR2CNR1ESR1
SCHEMBL7048782 0.81 CNR2 (0.54) CNR2CNR1ESR1
SCHEMBL8764746 0.81 CNR2 (0.47) CNR2CNR1ESR1
SCHEMBL22135532 0.81 ESR1 (0.60) CNR2CNR1ESR1
SCHEMBL10747880 0.80 CYSLTR2 (0.42) CNR2CNR1ESR1
SCHEMBL8799668 0.78 CNR2 (0.49) CNR2CNR1ESR1
SCHEMBL9726372 0.77 CNR2 (0.49) CNR2CNR1ESR1
SCHEMBL4894449 0.77 CNR2 (0.49) CNR2CNR1ESR1
SCHEMBL6550728 0.77 CNR2 (0.44) CNR2CNR1ESR1
SCHEMBL9180466 0.77 CNR2 (0.46) CNR2CNR1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0903350-B1 Pyrrolotriazole derivative FUJI PHOTO FILM CO LTD (JP) 2003-03-12 EP disclosed
EP-0518238-B1 Pyrrolotriazole derivative FUJI PHOTO FILM CO LTD (JP) 1999-04-07 EP disclosed
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
US-4522915-A 5-PYRAZOLONE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1985-06-11 US disclosed