SCHEMBL21168183

SCHEMBL21168183

C=CCCCCCCCCCCC(CCCCCCCCCCC(=O)O)(C(=O)O)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.71
ABCC4 O15439 1/20 0.71
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43
PPARG P37231 4/20 0.42
PPARA Q07869 4/20 0.42
TERT O14746 3/20 0.42
PTPN1 P18031 3/20 0.42
PPARD Q03181 3/20 0.42
BLM P54132 2/20 0.42
HSD17B10 Q99714 2/20 0.42
FABP4 P15090 2/20 0.42
F7 P08709 2/20 0.42
F3 P13726 2/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL16412283 1.00 MAPT (0.71) MAPTABCC4LMNAALDH1A1TSHR
SCHEMBL27039983 0.91 MAPT (0.54) MAPTABCC4LMNAALDH1A1TSHR
SCHEMBL21168227 0.90 MAPT (0.62) MAPTABCC4LMNAALDH1A1TSHR
SCHEMBL16418484 0.90 MAPT (0.62) MAPTABCC4LMNAALDH1A1PPARG
SCHEMBL4017942 0.89 MAPT (0.50) MAPTABCC4LMNAALDH1A1TSHR
SCHEMBL17954029 0.88 MAPT (0.59) MAPTABCC4LMNAALDH1A1PPARG
Undecylenic Acid SCHEMBL15263696 0.87 MAPT (0.95) MAPTABCC4LMNAALDH1A1TSHR
SCHEMBL17950961 0.86 MAPT (0.52) MAPTABCC4LMNAALDH1A1TSHR
SCHEMBL17955233 0.86 MAPT (0.52) MAPTABCC4LMNAALDH1A1TSHR
SCHEMBL7576245 0.84 MAPT (1.00) MAPTABCC4LMNAALDH1A1TSHR

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
EP-3247405-B1 SYNTHETIC APELIN FATTY ACID CONJUGATES WITH IMPROVED HALF-LIFE NOVARTIS AG (CH) 2019-07-17 EP disclosed