SCHEMBL27705635

SCHEMBL27705635

COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.44
▸ REN P00797 12/20 0.43
▸ NLN Q9BYT8 1/20 0.43
▸ FNTA P49354 1/20 0.43
▸ FNTB P49356 1/20 0.43
▸ PGGT1B P53609 1/20 0.43
▸ ELANE P08246 1/20 0.42
▸ PGC P20142 1/20 0.42
▸ LNPEP Q9UIQ6 2/20 0.41

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
SCHEMBL27705650 0.92 ACE (0.46) HDAC8RENNLNFNTAFNTB
SCHEMBL27705687 0.84 HDAC8 (0.58) HDAC8
SCHEMBL22962231 0.84 HDAC8 (0.58) HDAC8
SCHEMBL27705637 0.84 HDAC8 (0.58) HDAC8
SCHEMBL30839651 0.82 TRHR (0.53) RENPGCLNPEP
SCHEMBL27705646 0.81 HDAC8 (0.55) HDAC8
SCHEMBL27705684 0.81 TACR1 (0.56) HDAC8
SCHEMBL27726223 0.81 TACR1 (0.56) HDAC8
SCHEMBL27726235 0.80 HDAC8 (0.45) HDAC8
SCHEMBL27726233 0.80 HDAC8 (0.45) HDAC8

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-101200493-B (3S)-N-(L-aminoacyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, preparation method and uses thereof UNIV CAPITAL MEDICAL 2011-11-09 — — CN disclosed
CN-101200493-A (3S)-N-(L-aminoacyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, preparation method and uses thereof UNIV CAPITAL MEDICAL SCIENCES (CN) 2008-06-18 — — CN disclosed
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