SCHEMBL7496809

SCHEMBL7496809

CC(=O)NC(C(=O)c1cccc(O)c1)C(O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA6 P23280 1/20 0.45
CA9 Q16790 1/20 0.45
KDM4E B2RXH2 5/20 0.43
LMNA P02545 2/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
EGLN2 Q96KS0 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
PARP1 P09874 1/20 0.40
NPC1 O15118 2/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7497460 0.86 SLC1A2 (0.48) CA12CA1CA2CA6CA9
SCHEMBL7434063 0.85 CES2 (0.43) LMNAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL7488146 0.82 SLC7A5 (0.44) RAB9A
SCHEMBL7442141 0.82 NPC1 (0.49) ALDH1A1PARP1NPC1RAB9ASMN1; SMN2
SCHEMBL7496442 0.82 LMNA (0.40) CA12CA1CA2CA6CA9
SCHEMBL7438625 0.82 TRPA1 (0.44) CA12CA1CA2CA6CA9
SCHEMBL7493860 0.82 SMN1; SMN2 (0.46) KDM4EMAPTGAAALDH1A1NPC1
SCHEMBL7490643 0.81 KDM4E (0.50) CA12CA1CA2CA6CA9
SCHEMBL7490082 0.79 ALDH1A1 (0.50) KDM4ELMNAMAPTALDH1A1NPC1
SCHEMBL7436814 0.77 SMN1; SMN2 (0.47) KDM4ELMNAMAPTGAAALDH1A1

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