SCHEMBL9486336

SCHEMBL9486336

Cc1cc(C)c(C)c(Sc2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
HTR3A P46098 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
RHEB Q15382 1/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
ADAM17 P78536 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35

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
SCHEMBL9486508 0.85 HTR1A (0.43) HTR1AHTR3AL3MBTL1ALDH1A1KDM4E
SCHEMBL7059068 0.82 RHEB (0.39) HTR1AHTR3AL3MBTL1TDP1RHEB
SCHEMBL9487337 0.81 TUBB4A (0.38) HTR1AHTR3ATUBB4ATUBBTUBA3C
SCHEMBL8377232 0.81 NR1H2 (0.46) TDP1RHEBALDH1A1MAPTHPGD
SCHEMBL9488033 0.80 MAPT (0.41) HTR1AHTR3ATDP1CYP1A2CYP2A6
SCHEMBL9487731 0.80 AR (0.42) HTR1AHTR3ACYP1A2CYP2A6MAPT
SCHEMBL15509442 0.78 L3MBTL1 (0.45) HTR1AHTR3AL3MBTL1TDP1SIRT1
SCHEMBL7674839 0.78 HTR1A (0.50) HTR1AHTR3AL3MBTL1TDP1CYP1A2
SCHEMBL15509443 0.78 HPGD (0.42) HTR1AHTR3AL3MBTL1TDP1SIRT1
SCHEMBL9486714 0.78 ALDH1A1 (0.49) HTR1AHTR3AL3MBTL1TDP1CYP2A6

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