SCHEMBL29313355

SCHEMBL29313355

CCSCCCCCOCCCCCSCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GMNN O75496 1/20 0.61
TP53 P04637 1/20 0.61
POLB P06746 1/20 0.61
MAPT P10636 1/20 0.61
THRB P10828 1/20 0.61
CYP2C9 P11712 1/20 0.61
BLM P54132 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TSHR P16473 1/20 0.50
CES2 O00748 3/20 0.43
CES1 P23141 5/20 0.42
FAAH O00519 4/20 0.42
PLA2G6 O60733 1/20 0.42
PLA2G4B P0C869 7/20 0.41
CYP2D6 P10635 1/20 0.38
HIF1A Q16665 1/20 0.38
MVD P53602 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
SCHEMBL22922079 0.91 GMNN (0.61) GMNNTP53POLBMAPTTHRB
SCHEMBL22922154 0.89 GMNN (0.57) GMNNTP53POLBMAPTTHRB
SCHEMBL29313407 0.87 HSD17B10 (0.73) GMNNTP53POLBMAPTTHRB
SCHEMBL25996469 0.82 MEN1 (0.39) GMNNTP53POLBMAPTTHRB
SCHEMBL25996468 0.80 TSHR (0.41) MAPTTHRBHSD17B10TSHR
SCHEMBL23733922 0.79 GMNN (0.49) GMNNTP53POLBMAPTTHRB
SCHEMBL1603693 0.79 MAPT (0.61) GMNNTP53POLBMAPTTHRB
SCHEMBL1603690 0.79 MAPT (0.61) GMNNTP53POLBMAPTTHRB
SCHEMBL9007898 0.79 TSHR (0.60) MAPTHSD17B10TSHRPLA2G4B
SCHEMBL6231607 0.78 HSD17B10 (0.77) GMNNTP53POLBMAPTTHRB

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-4003314-B1 FUNCTIONALIZED LONG-CHAIN HYDROCARBON MONO- AND DI-CARBOXYLIC ACIDS USEFUL FOR THE PREVENTION OR TREATMENT OF DISEASE ESPERVITA THERAPEUTICS INC (US) 2024-07-10 EP disclosed