SCHEMBL9488206

SCHEMBL9488206

Cc1cc(C)cc(Sc2c(C)cccc2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.44
ACHE P22303 2/20 0.42
HTR1A P08908 2/20 0.36
HTR3A P46098 2/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2A6 P11509 2/20 0.35
RAPGEF4 Q8WZA2 2/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
IDO1 P14902 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34

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
SCHEMBL9488631 0.84 AR (0.46) ARACHEHTR1AHTR3ACYP1A2
SCHEMBL14163150 0.81 RAPGEF4 (0.41) ARACHEHTR1AHTR3ACYP1A2
SCHEMBL14306498 0.80 AR (0.44) ARACHEHTR1AHTR3ACYP1A2
SCHEMBL9487108 0.80 TUBB4A (0.33) ARTUBB4ATUBBTUBA3CIDO1
SCHEMBL13915410 0.78 AR (0.45) ARACHEHTR1AHTR3AIDO1
SCHEMBL1783489 0.77 CYP2A6 (0.47) ARACHECYP1A2CYP2A6SCN4A
SCHEMBL9486310 0.77 HTR1A (0.44) ARACHEHTR1AHTR3ACYP1A2
SCHEMBL10708933 0.76 ACHE (0.46) ACHEHTR1AHTR3ATUBB4ATUBB
SCHEMBL5887695 0.76 TSHR (0.43) ARACHECYP1A2CYP2A6SCN4A
SCHEMBL9488183 0.74 ACHE (0.57) ACHEHTR1AHTR3AIDO1ALDH1A1

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-5250657-A Process for preparing polyarylene thioether SEISAN KAIHATSU KAGAKU KENKYUSHO (JP) 1993-10-05 US disclosed
EP-0440106-A2 Process for preparing polyarylene thioethers SEISAN KAIHATSU KAGAKU KENKYUSHO (JP) 1991-08-07 EP disclosed