SCHEMBL13301129

SCHEMBL13301129

C/C=C\c1sc(/C=C/c2cc3c(ccc4sc(CC)cc43)s2)cc1-c1cc(CC)sc1C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
VCAM1 P19320 1/20 0.31

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
SCHEMBL1105098 0.79 SELE (0.36) ICAM1SELEVCAM1
SCHEMBL12278072 0.65 SELE (0.41) ICAM1SELEVCAM1
SCHEMBL17426227 0.65 SELE (0.41) ICAM1SELEVCAM1
SCHEMBL17795861 0.64 SELE (0.41) ICAM1SELEVCAM1
SCHEMBL1105113 0.64 MAPT (0.34)
SCHEMBL1105109 0.62 ALDH1A1 (0.41)
SCHEMBL1105104 0.62 MAPT (0.40) ICAM1SELEVCAM1
SCHEMBL19363669 0.62 SELE (0.39) ICAM1SELEVCAM1
SCHEMBL12269113 0.61 SELE (0.38) ICAM1SELEVCAM1
SCHEMBL12278088 0.59 MAPT (0.38) ICAM1SELEVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197033-A1 ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM LIGHT-EMITTING TRANSISTOR Idemitsu Kosan Co., Ltd. (JP) 2010-06-16 EP disclosed