SCHEMBL11798123

SCHEMBL11798123

CC(CCC(=O)c1ccc2c(c1)Cc1cc(C(=O)CCC(C)N3CCCCC3)ccc1O2)N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ MAOB P27338 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MAPT P10636 3/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CTNNB1 P35222 4/20 0.38
▸ WNT3A P56704 4/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CHRNA7 P36544 1/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37

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
SCHEMBL11679975 0.86 KDM4E (0.52) ALDH1A1HPGDMAPTKDM4EL3MBTL1
SCHEMBL11554619 0.82 ALDH1A1 (0.41) ALDH1A1MAOBHPGDMAPTHSD17B10
SCHEMBL11797647 0.79 HPGD (0.41) ALDH1A1HPGDKDM4ECTNNB1WNT3A
SCHEMBL11803305 0.77 MAOB (0.64) ALDH1A1MAOBHPGDMAPTHSD17B10
SCHEMBL11729199 0.76 L3MBTL1 (0.61) ALDH1A1MAOBHPGDMAPTHSD17B10
Hydrochloric Acid SCHEMBL11748357 0.76 MAOB (0.65) ALDH1A1MAOBHPGDMAPTHSD17B10
SCHEMBL11751985 0.75 KDM4E (0.67) ALDH1A1MAOBHPGDMAPTHSD17B10
SCHEMBL11798128 0.75 TRPV1 (0.37) KDM4EMEN1KMT2A
SCHEMBL11800382 0.75 CHRM2 (0.45) ALDH1A1MAOBHPGDMAPTHSD17B10
SCHEMBL11794977 0.74 L3MBTL1 (0.59) ALDH1A1MAOBHPGDMAPTHSD17B10

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-3957989-A ADMINISTERING RICHARDSON-MERRELL INC. (US) 1976-05-18 — — US disclosed
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