SCHEMBL7289478

SCHEMBL7289478

O=[C][C@H](Cc1c[nH]cn1)NC(=O)C(Cc1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 4/20 0.40
▸ HDAC1 Q13547 4/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ CPA1 P15085 1/20 0.38
▸ CHRM1 P11229 3/20 0.37
▸ CTSC P53634 2/20 0.37
▸ MMP1 P03956 1/20 0.36
▸ FCER2 P06734 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ BACE2 Q9Y5Z0 1/20 0.35

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
SCHEMBL7289470 1.00 HDAC3 (0.40) HDAC3HDAC1HDAC4HDAC8HDAC6
SCHEMBL7292510 0.89 CTSL (0.40) CTSCMMP1FCER2CTSL
SCHEMBL7292514 0.89 CTSL (0.40) CTSCMMP1FCER2CTSL
SCHEMBL7302898 0.86 GLS (0.39) CPA1CTSCPOLB
SCHEMBL7302891 0.86 GLS (0.39) CPA1CTSCPOLB
SCHEMBL6265071 0.85 CTSC (0.54) CTSC
SCHEMBL6946752 0.85 CTSC (0.54) CTSC
SCHEMBL9012384 0.85 CTSC (0.54) CTSC
SCHEMBL9012374 0.85 CTSC (0.54) CTSC
SCHEMBL9438609 0.85 CTSC (0.54) CTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0264106-B1 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use BANYU PHARMA CO LTD (JP) 1994-03-16 — — EP disclosed
US-4851387-A RENIN INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-07-25 — — US disclosed
EP-0264106-A2 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-04-20 — — EP disclosed
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