SCHEMBL7436814

SCHEMBL7436814

CC(=O)NC(C(=O)c1ccc(-c2ccccc2)cc1)C(O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 4/20 0.43
LMNA P02545 4/20 0.43
HTT P42858 3/20 0.43
HPGDS O60760 1/20 0.43
ACACB O00763 3/20 0.42
ACACA Q13085 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL7434063 0.91 CES2 (0.43) SMN1; SMN2MAPTALDH1A1LMNAHTT
SCHEMBL7496442 0.84 LMNA (0.40) MAPTALDH1A1LMNAHTTHPGD
SCHEMBL7430292 0.83 CYP1A2 (0.49) SMN1; SMN2ALDH1A1LMNAACACBNPC1
SCHEMBL7500101 0.83 NPC1 (0.41) ALDH1A1HPGDNPC1RAB9AGAA
SCHEMBL7493860 0.81 SMN1; SMN2 (0.46) SMN1; SMN2MAPTALDH1A1HPGDNPC1
SCHEMBL7497110 0.81 ALDH1A1 (0.46) MAPTALDH1A1LMNAACACBNPC1
SCHEMBL7435408 0.81 ALDH1A1 (0.51) MAPTALDH1A1ACACBHPGDNPC1
SCHEMBL7493041 0.78 L3MBTL1 (0.47) MAPTALDH1A1LMNAACACBACACA
SCHEMBL7437066 0.78 KMT2A (0.51) SMN1; SMN2MAPTALDH1A1LMNAACACB
SCHEMBL7490643 0.78 KDM4E (0.50) SMN1; SMN2MAPTLMNAL3MBTL1GAA

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