SCHEMBL7753856

SCHEMBL7753856

CCOC(=O)CC(C)CCC=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 5/20 0.38
TRPA1 O75762 1/20 0.38
ALOX15 P16050 3/20 0.36
TSHR P16473 3/20 0.36
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
FAAH O00519 1/20 0.36
CHRM1 P11229 1/20 0.35
ADORA1 P30542 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NR1I2 O75469 1/20 0.34
PGR P06401 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
PTGS2 P35354 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL18735901 1.00 MGAM (0.40) MGAMGAASIMGAM2MAPT
SCHEMBL18736159 1.00 MGAM (0.40) MGAMGAASIMGAM2MAPT
SCHEMBL18735985 0.82 ALOX15 (0.56) MGAMGAASIMGAM2ALDH1A1
SCHEMBL18736150 0.82 ALOX15 (0.56) MGAMGAASIMGAM2ALDH1A1
SCHEMBL12446349 0.82 ALOX15 (0.56) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10334455 0.81 TSHR (0.36) MGAMGAASIMGAM2MAPT
SCHEMBL10334453 0.81 TSHR (0.36) MGAMGAASIMGAM2MAPT
SCHEMBL5571591 0.81 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28055033 0.81 CYP1A2 (0.46) MGAMGAASIMGAM2MAPT
SCHEMBL5001444 0.80 MGAM (0.46) MGAMGAASIMGAM2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017062468-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MITOBRIDGE, INC. (US) 2017-04-13 WO disclosed
WO-2001046115-A1 UNSATURATED FATTY ACIDS AND THEIR USES IN THERAPY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-06-28 WO disclosed