SCHEMBL7433433

SCHEMBL7433433

CC(=O)NC(Cc1ccc(O)c(O)c1)C(O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.56
KDM4E B2RXH2 11/20 0.55
HSD17B10 Q99714 9/20 0.55
HIF1A Q16665 8/20 0.55
TDP1 Q9NUW8 8/20 0.55
ALOX15 P16050 5/20 0.55
RECQL P46063 4/20 0.55
PTGS1 P23219 2/20 0.55
USP2 O75604 2/20 0.55
ADORA3 P0DMS8 2/20 0.55
HTR2A P28223 2/20 0.55
PTGS2 P35354 2/20 0.55
LCK P06239 2/20 0.55
EGFR P00533 1/20 0.55
FYN P06241 1/20 0.55
SLC7A5 Q01650 1/20 0.55
PLA2G1B P04054 1/20 0.47
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
BLM P54132 8/20 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
SCHEMBL7436643 0.84 SLC7A5 (0.51) KDM4ESLC7A5MMEACEESR1
SCHEMBL7436072 0.82 GRIA2 (0.48) KDM4EHIF1ASLC7A5LMNA
SCHEMBL328475 0.81 MME (0.60) KDM6BKDM4EHSD17B10HIF1ATDP1
SCHEMBL9787629 0.81 MME (0.60) KDM6BKDM4EHSD17B10HIF1ATDP1
SCHEMBL7441034 0.81 ACACB (0.51) LMNAALDH1A1MEN1KMT2APPARG
SCHEMBL468823 0.81 MME (0.60) KDM6BKDM4EHSD17B10HIF1ATDP1
SCHEMBL29367167 0.81 MME (0.60) KDM6BKDM4EHSD17B10HIF1ATDP1
SCHEMBL7436981 0.81 TACR1 (0.51) MMEACECA2
SCHEMBL7434134 0.80 CTRB1 (0.55) PTGS1SLC7A5LMNACYP1A2RAB9A
SCHEMBL7442013 0.80 CTRB1 (0.55) PTGS1SLC7A5LMNACYP1A2RAB9A

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