SCHEMBL11679975

SCHEMBL11679975

CC(CCC(=O)c1ccc2c(c1)Cc1cc(C(=O)CCC(C)N3CCCCC3)ccc1-2)N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MAPT P10636 6/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ ALDH1A1 P00352 6/20 0.42
▸ HPGD P15428 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HSD17B1 P14061 1/20 0.40
▸ THRB P10828 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SLC6A4 P31645 4/20 0.39
▸ SLC6A3 Q01959 3/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ CTNNB1 P35222 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
SCHEMBL11798123 0.86 ALDH1A1 (0.43) KDM4EL3MBTL1MAPTRAB9ANPC1
SCHEMBL11677849 0.82 L3MBTL1 (0.56) KDM4EL3MBTL1MAPTRAB9ANPC1
SCHEMBL11554619 0.81 ALDH1A1 (0.41) KDM4EL3MBTL1MAPTRAB9ANPC1
SCHEMBL11751166 0.80 SLC6A3 (0.45) KDM4EL3MBTL1MAPTRAB9ANPC1
SCHEMBL11677514 0.77 MAPT (0.53) KDM4EL3MBTL1MAPTRAB9ANPC1
SCHEMBL11678598 0.76 L3MBTL1 (0.72) KDM4EL3MBTL1MAPTALDH1A1HPGD
SCHEMBL11675968 0.76 L3MBTL1 (0.58) KDM4EL3MBTL1MAPTRAB9ANPC1
SCHEMBL11678574 0.75 KDM4E (0.54) KDM4EL3MBTL1MAPTRAB9ANPC1
Hydrochloric Acid SCHEMBL11679014 0.75 L3MBTL1 (0.70) KDM4EL3MBTL1MAPTALDH1A1HPGD
SCHEMBL11678584 0.75 KDM4E (0.62) KDM4EL3MBTL1MAPTRAB9ANPC1

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
US-4064347-A Bis-basic ketones of fluorene and fluorenone RICHARDSON-MERRELL INC. (US) 1977-12-20 — — US disclosed
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