SCHEMBL6829994

SCHEMBL6829994

C=C(C)COC(=O)CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.37
GAA P10253 2/20 0.37
SI P14410 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37
PAM P19021 3/20 0.35
LDHA P00338 1/20 0.35
SRR Q9GZT4 1/20 0.35
GPR174 Q9BXC1 1/20 0.34
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6829993 0.88 MGAM (0.48) MGAMGAASIMGAM2GPR174
SCHEMBL9204032 0.84 MGAM (0.50) MGAMGAASIMGAM2GPR174
SCHEMBL27860204 0.81 MGAM (0.40) MGAMGAASIMGAM2PAM
SCHEMBL5285283 0.80 EGLN1 (0.43) PAMTSHRALDH1A1
SCHEMBL4848958 0.80 GAA (0.65) MGAMGAASIMGAM2TSHR
SCHEMBL13370395 0.78 EPHX1 (0.45) MGAMGAASIMGAM2LDHA
SCHEMBL11355140 0.78 ALDH1A1 (0.34) MGAMGAASIMGAM2TSHR
SCHEMBL11355143 0.78 ALOX15 (0.38) LDHASRRGPR174TSHRALDH1A1
SCHEMBL4638003 0.78 PAM (0.46) MGAMGAASIMGAM2PAM
SCHEMBL16068775 0.77 HSD17B10 (0.39) MGAMGAASIMGAM2ALDH1A1

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
WO-2004076425-A1 IMPROVED SYNTHESIS OF MACROCYCLIC TETRAAMIDO COMPOUNDS AND NEW METAL INSERTION PROCESS CARNEGIE MELLON UNIVERSITY (US) 2004-09-10 WO disclosed
US-5296501-A Bactericides ROUSSEL UCLAF (FR) 1994-03-22 US disclosed
US-5030715-A Antibacterial agents; immunomodulators; auto immune diseases ROUSSEL UCLAF (FR) 1991-07-09 US disclosed