SCHEMBL29105035

SCHEMBL29105035

NCCC(CCC(=O)O)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 2/20 0.62
SLC15A1 P46059 1/20 0.51
KEAP1 Q14145 1/20 0.50
HDAC3 O15379 4/20 0.49
HDAC1 Q13547 4/20 0.49
HDAC2 Q92769 4/20 0.49
HDAC8 Q9BY41 4/20 0.49
HDAC6 Q9UBN7 4/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
NAALAD2 Q9Y3Q0 1/20 0.49
LTA4H P09960 1/20 0.49
CYP1A2 P05177 1/20 0.48
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 2/20 0.47

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
SCHEMBL27810424 0.88 CPA3 (0.59) CPA3SLC15A1KEAP1HDAC3HDAC1
SCHEMBL11662542 0.87 CPA3 (0.55) CPA3SLC15A1KEAP1HDAC3HDAC1
SCHEMBL10710074 0.87 CPA3 (0.67) CPA3SLC15A1KEAP1HDAC3HDAC1
SCHEMBL7708881 0.83 CPA3 (0.62) CPA3SLC15A1KEAP1HDAC3HDAC1
SCHEMBL10433325 0.82 CPA3 (0.61) CPA3SLC15A1KEAP1HDAC3HDAC1
SCHEMBL10433459 0.82 CPA3 (0.61) CPA3SLC15A1KEAP1HDAC3HDAC1
SCHEMBL1860199 0.82 CPA3 (0.61) CPA3SLC15A1KEAP1HDAC3HDAC1
SCHEMBL5177112 0.82 CPA3 (0.61) CPA3SLC15A1KEAP1HDAC3HDAC1
SCHEMBL11145503 0.81 EPHX1 (0.52)
SCHEMBL10433335 0.81 CPA3 (0.59) CPA3SLC15A1KEAP1HDAC3HDAC1

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
CN-116813497-B Amide compound and preparation method, pharmaceutical composition and application thereof 天津匠新致成科技有限公司 2023-11-14 CN claimed