SCHEMBL19385447

SCHEMBL19385447

CC(=O)OOC(CO)CO

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 4/20 0.34
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL19385428 0.84 PRKCA (0.33) PRKCA
SCHEMBL445609 0.79 ALDH1A1 (0.38) ALDH1A1TSHRLMNAHSD17B10
SCHEMBL445367 0.75 HDAC1 (0.37) PRKCAALDH1A1TSHRLMNAHSD17B10
SCHEMBL33456 0.72
SCHEMBL443489 0.72 PRKCA (0.38) PRKCAMAPK1ALDH1A1TSHRLMNA
SCHEMBL3664713 0.70 PRKCA (0.47) PRKCATSHRLMNA
Acetic Acid SCHEMBL27418791 0.70 TSHR (0.36) PRKCAMAPTALDH1A1TSHRLMNA
SCHEMBL8947462 0.70 PRKCA (0.33) PRKCA
SCHEMBL9452810 0.70
SCHEMBL19511744 0.69 TSHR (0.33) ALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017164750-A1 THERAPEUTIC COMPOSITIONS AND USES THEREOF MANUKA HEALTH NEW ZEALAND LIMITED (NZ) 2017-09-28 WO disclosed