SCHEMBL7438864

SCHEMBL7438864

CC(=O)NC(Cc1ccc(-c2ccccc2)cc1)C(O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.56
REN P00797 1/20 0.52
MME P08473 13/20 0.51
ACE P12821 12/20 0.51
ACE2 Q9BYF1 8/20 0.51
CPA1 P15085 6/20 0.51
CTRB1 P17538 2/20 0.47
SRR Q9GZT4 1/20 0.47
PSAT1 Q9Y617 1/20 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
SCHEMBL7442013 0.91 CTRB1 (0.55) CTRB1
SCHEMBL7434134 0.91 CTRB1 (0.55) CTRB1
SCHEMBL7436643 0.85 SLC7A5 (0.51) MMEACEACE2CPA1CTRB1
SCHEMBL7441034 0.85 ACACB (0.51) ACACBCTRB1
SCHEMBL7444226 0.84 ALDH1A1 (0.44) ACECPA1CTRB1
SCHEMBL7434156 0.84 ACACB (0.52) ACACBMMECTRB1
SCHEMBL7436512 0.82 ACACB (0.53) ACACBCTRB1
SCHEMBL7436981 0.82 TACR1 (0.51) ACACBMMEACEACE2CPA1
SCHEMBL6436295 0.81 MME (0.68) ACACBMMEACEACE2CPA1
SCHEMBL6857632 0.81 MME (0.68) ACACBMMEACEACE2CPA1

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
US-4453003-A ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS UMEZAWA HAMAO (JP) 1984-06-05 US disclosed
US-4391986-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediates therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-07-05 US disclosed
US-4281180-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediated therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-07-28 US disclosed