SCHEMBL29120643

SCHEMBL29120643

CCOC(=O)C1CC=C(CC(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1B1 Q16678 1/20 0.39
PDK1 Q15118 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL20562726 0.86 ALOX15 (0.57) ALOX15TSHRMAPK1KDM4EMEN1
SCHEMBL849987 0.81 ALOX15 (0.53) ALOX15TSHRMAPK1KDM4EMEN1
SCHEMBL23091547 0.80 TSHR (0.48) ALOX15TSHRMAPK1KDM4EMEN1
SCHEMBL7729615 0.80 ALOX15 (0.52) ALOX15TSHRMAPK1MEN1KMT2A
SCHEMBL13554000 0.80 ALOX15 (0.52) ALOX15TSHRMAPK1KDM4EMEN1
SCHEMBL7814192 0.80 MEN1 (0.51) ALOX15TSHRMAPK1KDM4EMEN1
SCHEMBL31601392 0.80 LMNA (0.51) ALOX15TSHRMAPK1KDM4EMEN1
SCHEMBL2431486 0.80 LMNA (0.51) ALOX15TSHRMAPK1KDM4EMEN1
SCHEMBL11340760 0.79 TSHR (0.58) ALOX15TSHRMAPK1KDM4EMEN1
SCHEMBL12519547 0.78 ALOX15 (0.49) ALOX15TSHRMAPK1KDM4EMEN1

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
CN-117210829-A Synthesis method of unsaturated carboxylic acid compound 四川大学 2023-12-12 CN disclosed