SCHEMBL30020577

SCHEMBL30020577

CCCCCCCCN(CCCCCCCC)c1cccc(NC(=O)CCCCCCC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ICMT O60725 2/20 0.56
▸ ALB P02768 2/20 0.56
▸ LMNA P02545 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ SOAT2 O75908 1/20 0.53
▸ SOAT1 P35610 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ HDAC3 O15379 3/20 0.51
▸ HDAC1 Q13547 3/20 0.51
▸ HDAC2 Q92769 3/20 0.51
▸ HDAC10 Q969S8 2/20 0.51
▸ HDAC11 Q96DB2 2/20 0.51
▸ HDAC8 Q9BY41 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ NCOR2 Q9Y618 1/20 0.51
▸ EPHX2 P34913 1/20 0.51
▸ HDAC4 P56524 1/20 0.50

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
SCHEMBL30020925 0.97 LMNA (0.54) ICMTALBLMNANPC1RAB9A
SCHEMBL30020332 0.97 ICMT (0.56) ICMTALBLMNANPC1RAB9A
SCHEMBL10941264 0.91 POLB (0.52) ICMTALBLMNARAB9ASMN1; SMN2
SCHEMBL30020911 0.91 POLB (0.52) ICMTALBLMNARAB9ASMN1; SMN2
SCHEMBL30019201 0.91 POLB (0.52) ICMTALBLMNARAB9ASMN1; SMN2
SCHEMBL11058922 0.91 POLB (0.52) ICMTALBLMNARAB9ASMN1; SMN2
SCHEMBL9621976 0.91 HDAC3 (0.59) ICMTALBLMNANPC1RAB9A
SCHEMBL9621938 0.91 HDAC3 (0.59) ICMTALBLMNANPC1RAB9A
SCHEMBL9621940 0.91 HDAC3 (0.59) ICMTALBLMNANPC1RAB9A
SCHEMBL30020825 0.91 POLB (0.52) ICMTALBLMNARAB9ASMN1; 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
CN-115279839-A Dye composition 纪和化学工业株式会社 2022-11-01 — — CN disclosed
CN-115244139-A Dye for dyeing with supercritical carbon dioxide 国立大学法人福井大学 2022-10-25 — — CN disclosed
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