SCHEMBL9487992

SCHEMBL9487992

Cc1ccc(C)c(Oc2cc(C)cc(C)c2C)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
ACHE P22303 1/20 0.40
TSHR P16473 2/20 0.40
RAPGEF4 Q8WZA2 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
CYP2C9 P11712 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL11233773 0.88 ACHE (0.45) ACHELMNAHTTTDP1TP53
SCHEMBL9487712 0.87 ALDH1A1 (0.41) KMT2AACHERAPGEF4LMNAHTT
SCHEMBL3278966 0.87 ACHE (0.50) KMT2AACHETSHRLMNAHTT
Water SCHEMBL11254873 0.84 ALDH1A1 (0.40) KMT2AACHERAPGEF4LMNAHTT
SCHEMBL9487868 0.82 MEN1 (0.47) KMT2ATSHRLMNAHTTALDH1A1
SCHEMBL9486403 0.80 MAPT (0.43) KMT2AACHETSHRALDH1A1
SCHEMBL9487718 0.78 ALDH1A1 (0.44) KMT2ARAPGEF4LMNAHTTTP53
SCHEMBL9487839 0.78 ALDH1A1 (0.38) KMT2AACHERAPGEF4LMNAHTT
SCHEMBL5608705 0.77 TSHR (0.50) KMT2AACHETSHRSMN1; SMN2
SCHEMBL9487542 0.77 ALDH1A1 (0.47) KMT2AACHETSHRLMNAHTT

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