SCHEMBL7434721

SCHEMBL7434721

CCONC(=O)CC(Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CPA1 P15085 4/20 0.57
▸ CPA3 P15088 2/20 0.57
▸ CPB1 P15086 1/20 0.57
▸ CPB2 Q96IY4 1/20 0.57
▸ CYP1A2 P05177 1/20 0.54
▸ ANPEP P15144 2/20 0.51
▸ RNPEP Q9H4A4 1/20 0.51
▸ DNPEP Q9ULA0 1/20 0.51
▸ MME P08473 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ LTA4H P09960 1/20 0.49
▸ ECE1 P42892 1/20 0.49
▸ SLC1A3 P43003 1/20 0.49
▸ SLC1A2 P43004 1/20 0.49
▸ SLC1A1 P43005 1/20 0.49
▸ FOLH1 Q04609 1/20 0.49

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
SCHEMBL7280073 1.00 CPA1 (0.57) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7280820 0.86 EPHX2 (0.44) CYP1A2ANPEPMMELTA4HECE1
SCHEMBL7777115 0.81 LTA4H (0.61) CPA1CPA3CPB1CPB2MME
SCHEMBL7280261 0.80 CPA1 (0.66) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL9831844 0.78 MMP1 (0.63) MME
SCHEMBL7395724 0.77 NPC1 (0.48) SLC1A3SLC1A1FOLH1
SCHEMBL8313296 0.77 CPA1 (0.62) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL9574107 0.76 CPA1 (0.66) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7505398 0.76 CPA1 (0.66) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL28308722 0.76 KMT2A (0.55) MEN1KMT2A

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-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 — — US disclosed
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