SCHEMBL21168227

SCHEMBL21168227

C=CCCCCCCCCCC(CCCCCCCCCCC(=O)O)(C(N)=O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
ABCC4 O15439 1/20 0.62
ALDH1A1 P00352 2/20 0.44
LMNA P02545 3/20 0.40
PPARG P37231 4/20 0.38
PPARA Q07869 4/20 0.38
TERT O14746 3/20 0.38
PTPN1 P18031 3/20 0.38
PPARD Q03181 3/20 0.38
BLM P54132 2/20 0.38
HSD17B10 Q99714 2/20 0.38
FABP4 P15090 2/20 0.38
F7 P08709 2/20 0.38
F3 P13726 2/20 0.38
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL21168183 0.90 MAPT (0.71) MAPTABCC4ALDH1A1LMNAPPARG
SCHEMBL16412283 0.90 MAPT (0.71) MAPTABCC4ALDH1A1LMNAPPARG
SCHEMBL16418484 0.84 MAPT (0.62) MAPTABCC4ALDH1A1LMNAPPARG
SCHEMBL17954029 0.82 MAPT (0.59) MAPTABCC4ALDH1A1LMNAPPARG
SCHEMBL27039983 0.81 MAPT (0.54) MAPTABCC4ALDH1A1LMNAUSP2
Undecylenic Acid SCHEMBL15263696 0.81 MAPT (0.95) MAPTABCC4ALDH1A1LMNAPPARG
SCHEMBL17381370 0.80 GPR84 (0.57) ALDH1A1LMNAPPARGPPARAPTPN1
SCHEMBL4017942 0.79 MAPT (0.50) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL7576245 0.79 MAPT (1.00) MAPTABCC4ALDH1A1LMNAPPARG
Undecylenic Acid SCHEMBL5974072 0.79 MAPT (1.00) MAPTABCC4ALDH1A1LMNAPPARG

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