SCHEMBL27396501

SCHEMBL27396501

CC(C)c1ccc(CC(=O)NC2CCCCCCCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.70
▸ NPC1 O15118 1/20 0.68
▸ RAB9A P51151 1/20 0.68
▸ EPHX2 P34913 4/20 0.65
▸ KMT2A Q03164 4/20 0.64
▸ MEN1 O00255 3/20 0.61
▸ TP53 P04637 1/20 0.61
▸ EPHX1 P07099 1/20 0.61
▸ NFKB1 P19838 1/20 0.61
▸ NFKB2 Q00653 1/20 0.61
▸ RELA Q04206 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ ALDH1A1 P00352 2/20 0.60
▸ LMNA P02545 3/20 0.60
▸ HDAC1 Q13547 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ BCHE P06276 1/20 0.56
▸ ACHE P22303 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL25649879 0.90 RAB9A (0.66) POLBNPC1RAB9AEPHX2KMT2A
SCHEMBL21624779 0.85 LMNA (0.55) POLBNPC1RAB9AEPHX2KMT2A
SCHEMBL14924027 0.84 L3MBTL1 (0.55) POLBNPC1RAB9AEPHX2KMT2A
SCHEMBL23130338 0.83 POLB (1.00) POLBNPC1RAB9AEPHX2KMT2A
SCHEMBL15652941 0.83 RAB9A (0.73) POLBNPC1RAB9AEPHX2KMT2A
SCHEMBL25893862 0.83 RAB9A (0.73) POLBNPC1RAB9AEPHX2KMT2A
SCHEMBL23387364 0.82 LMNA (0.50) POLBNPC1RAB9AEPHX2KMT2A
SCHEMBL5053663 0.81 RAB9A (0.71) POLBNPC1RAB9AEPHX2KMT2A
SCHEMBL9325905 0.81 NPC1 (1.00) POLBNPC1RAB9AEPHX2KMT2A
SCHEMBL21424360 0.80 LMNA (0.49) POLBNPC1RAB9AEPHX2KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024126617-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING KINASES VIA UBIQUITIN PROTEOSOME PATHWAY CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2024-06-20 — — WO disclosed
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