SCHEMBL11706284

SCHEMBL11706284

CN(CCN(C)Cc1ccc(C(=O)C(C)(C)C)cc1)Cc1ccc(C(=O)C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.47
BCHE P06276 2/20 0.47
PYCR1 P32322 1/20 0.46
TMEM97 Q5BJF2 8/20 0.45
SIGMAR1 Q99720 8/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
LTA4H P09960 1/20 0.40
ACKR3 P25106 1/20 0.40
PTPN1 P18031 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
Hydrochloric Acid SCHEMBL2457698 0.98 ACHE (0.46) ACHEBCHEPYCR1TMEM97SIGMAR1
SCHEMBL12632249 0.85 LSS (0.49) PYCR1SMN1; SMN2ALDH1A1PTPN1HDAC1
SCHEMBL11705126 0.84 SMN1; SMN2 (0.46) ACHEBCHETMEM97SIGMAR1SMN1; SMN2
SCHEMBL11714658 0.83 ACHE (0.43) ACHEBCHEPYCR1TMEM97SIGMAR1
SCHEMBL11715076 0.83 ACHE (0.43) ACHEBCHEPYCR1TMEM97SIGMAR1
SCHEMBL11655940 0.83 HDAC6 (0.47) ACHEPYCR1SMN1; SMN2ALDH1A1PTPN1
Hydrochloric Acid SCHEMBL11703195 0.83 SMN1; SMN2 (0.48) ACHEBCHETMEM97SIGMAR1SMN1; SMN2
SCHEMBL11754169 0.82 ACHE (0.61) ACHEBCHE
Hydrochloric Acid SCHEMBL11651072 0.81 HDAC6 (0.46) ACHEPYCR1SMN1; SMN2ALDH1A1PTPN1
Hydrochloric Acid SCHEMBL11759163 0.81 ACHE (0.59) ACHEBCHESMN1; SMN2

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-4035494-A HYPOLIPIDEMIC AGENTS SANDOZ, INC. (US) 1977-07-12 US disclosed
US-4035494-A HYPOLIPIDEMIC AGENTS SANDOZ, INC. (US) 1977-07-12 US disclosed