SCHEMBL9739502

SCHEMBL9739502

CCO/C(C(=O)O)=C(/CC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.44
ALDH1A1 P00352 5/20 0.42
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
HCAR2 Q8TDS4 1/20 0.37
TRPA1 O75762 1/20 0.36
FFAR3 O14843 1/20 0.35
CYP2D6 P10635 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIA4 P48058 1/20 0.32
GRIK3 Q13003 1/20 0.32
GRIK5 Q16478 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL10601454 1.00 SOAT1 (0.44) SOAT1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL9739514 1.00 SOAT1 (0.44) SOAT1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL9747801 0.86 ALDH1A1 (0.42) SOAT1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL30174535 0.86 ALDH1A1 (0.42) SOAT1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL18155004 0.82 ALDH1A1 (0.39) SOAT1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL18155006 0.82 ALDH1A1 (0.39) SOAT1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL11658288 0.82 ALDH1A1 (0.53) SOAT1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL10603638 0.79 ALDH1A1 (0.48) ALDH1A1LMNAHCAR2CYP2D6SMN1; SMN2
SCHEMBL79926 0.78 SOAT1 (0.46) SOAT1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL10193630 0.78 FFAR3 (0.36) ALDH1A1FFAR3GRIK1GRIA4GRIK3

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
US-5143917-A Cationic tensides for controlling infections MEDICE CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) 1992-09-01 US disclosed