SCHEMBL23881998

SCHEMBL23881998

CCCCC(CC)C(=O)NOC(=O)CC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.61
CA1 P00915 5/20 0.61
MAPK1 P28482 2/20 0.48
USP2 O75604 1/20 0.44
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NAAA Q02083 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39

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
SCHEMBL29062790 0.93 CA2 (0.53) CA2CA1MAPK1USP2CA7
SCHEMBL29063420 0.93 CA2 (0.53) CA2CA1MAPK1USP2CA7
SCHEMBL29063188 0.93 CA2 (0.50) CA2CA1MAPK1USP2L3MBTL1
SCHEMBL8602000 0.85 CA2 (0.56) CA2CA1MAPK1USP2CA7
SCHEMBL27500430 0.85 TSHR (0.46) CA2CA1MAPK1USP2CA7
SCHEMBL28399283 0.78 CA2 (0.54) CA2CA1MAPK1USP2CA7
SCHEMBL17439956 0.76 CA2 (1.00) CA2CA1MAPK1USP2CA7
SCHEMBL1428501 0.75 TSHR (0.48) CA2CA1MAPK1USP2CA7
SCHEMBL8460512 0.75 CA2 (0.73) CA2CA1MAPK1USP2CA7
SCHEMBL4631638 0.74 CA2 (0.66) CA2CA1MAPK1USP2MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230095618-A1 OIL-IN-WATER EMULSION COMPRISING A SOLID LIPID MATERIAL FIRMENICH SA (CH) 2023-03-30 US disclosed
EP-4125778-A1 OIL-IN-WATER EMULSION COMPRISING A SOLID LIPID MATERIAL Firmenich SA (CH) 2023-02-08 EP disclosed
WO-2021198198-A1 OIL-IN-WATER EMULSION COMPRISING A SOLID LIPID MATERIAL FIRMENICH SA (CH) 2021-10-07 WO disclosed