SCHEMBL9487249

SCHEMBL9487249

Cc1ccc(C)c(Oc2c(C)ccc(C)c2C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
ACHE P22303 1/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 2/20 0.38
CYP2C9 P11712 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
APEX1 P27695 1/20 0.35
MPI P34949 1/20 0.35
RECQL P46063 1/20 0.35
TTR P02766 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C8 P10632 1/20 0.35
CHRM1 P11229 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
SCHEMBL5608458 0.83 TSHR (0.43) KMT2AACHETSHRLMNACYP2C9
SCHEMBL3278966 0.82 ACHE (0.50) KMT2AACHETSHRLMNACYP2C9
SCHEMBL9487839 0.82 ALDH1A1 (0.38) KMT2AACHELMNAHTTALDH1A1
SCHEMBL9487832 0.77 TSHR (0.50) KMT2AACHETSHRLMNACYP2C9
SCHEMBL1921836 0.77 HSP90AA1 (0.40) ACHETSHRHTTALDH1A1SMN1; SMN2
SCHEMBL9486403 0.76 MAPT (0.43) KMT2AACHETSHRALDH1A1MAPT
SCHEMBL9487992 0.75 KMT2A (0.42) KMT2AACHETSHRLMNACYP2C9
SCHEMBL8378007 0.73 TP53 (0.45) KMT2AACHETSHRLMNACYP2C9
SCHEMBL9488797 0.73 TDP2 (0.34) TSHRSMN1; SMN2CYP1A2
SCHEMBL5608705 0.72 TSHR (0.50) KMT2AACHETSHRSMN1; SMN2GAA

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