SCHEMBL7494680

SCHEMBL7494680

CCC(C)c1ccc(C(=O)C(NC(C)=O)C(O)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
TP53 P04637 1/20 0.36
PPARA Q07869 1/20 0.36
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7497110 0.82 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL7495222 0.81 ACACB (0.48) MEN1KMT2ANPSR1PPARAMAPT
SCHEMBL7496442 0.80 LMNA (0.40) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL7493041 0.80 L3MBTL1 (0.47) ALDH1A1KMT2ANPC1RAB9APPARA
SCHEMBL7434063 0.79 CES2 (0.43) TSHRALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL7430292 0.79 CYP1A2 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL7500101 0.79 NPC1 (0.41) TSHRALDH1A1MEN1KMT2ANPC1
SCHEMBL7485958 0.78 NPSR1 (0.54) SMN1; SMN2MEN1KMT2ANPSR1NPC1
SCHEMBL7500749 0.77 RARB (0.48) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL7436814 0.77 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2NPSR1NPC1RAB9A

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