SCHEMBL28548136

SCHEMBL28548136

CCCCC(C(=O)O)N(Cc1ccccc1)C(C)=S

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CNR2 P34972 2/20 0.43
LTB4R2 Q9NPC1 1/20 0.39
PTGES O14684 2/20 0.38
ALOX5 P09917 2/20 0.38
PPARG P37231 2/20 0.38
CTSK P43235 1/20 0.38
MMP2 P08253 1/20 0.37
MMP3 P08254 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
SCHEMBL1889181 0.83 MEN1 (0.47) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL19488235 0.80 CNR2 (0.47) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL4269973 0.74 CNR2 (0.47) MEN1KMT2ACNR2
SCHEMBL21461808 0.74 EPOR (0.44) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL9370545 0.72 MEN1 (0.46) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL4906707 0.72 MEN1 (0.46) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL7129391 0.72 EPOR (0.49) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL6787363 0.72 CNR2 (0.52) ALDH1A1POLBHSD17B10MEN1KMT2A
SCHEMBL19100377 0.72 EPOR (0.49) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL10424072 0.72 MMP2 (0.49) MMP2MMP3

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-112592305-A Organic compound and preparation method and application thereof 中南大学 2021-04-02 CN disclosed