SCHEMBL23946231

SCHEMBL23946231

O=C1NC(O)C(Cc2ccc(OCC(=O)c3ccc(F)cc3)cc2)S1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
MAPK1 P28482 1/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PPARG P37231 4/20 0.52
MPC2 O95563 2/20 0.44
CYP2C8 P10632 2/20 0.44
CYP2C9 P11712 2/20 0.44
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ENPP2 Q13822 1/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NR4A2 P43354 1/20 0.40
MAOB P27338 2/20 0.39
PARP10 Q53GL7 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL19217571 0.89 PPARG (0.54) PPARGMPC2CYP2C8CYP2C9POLB
SCHEMBL22226858 0.88 PPARG (0.53) LMNAMAPK1CASP3SENP7SENP6
SCHEMBL19217749 0.81 PPARG (0.55) LMNAPPARGMPC2CYP2C8CYP2C9
SCHEMBL936979 0.80 PPARG (0.79) LMNAMAPK1CASP3SENP7SENP6
SCHEMBL21504732 0.77 PPARG (0.68) LMNAPPARGMPC2CYP2C8CYP2C9
SCHEMBL6327817 0.74 LMNA (0.73) LMNAMAPK1CASP3SENP7SENP6
SCHEMBL8282082 0.74 LMNA (0.53) LMNAMAPK1CASP3SENP7SENP6
SCHEMBL25833062 0.73 PPARG (0.54) LMNAMAPK1CASP3SENP7SENP6
SCHEMBL935850 0.70 PPARG (0.77) PPARGMPC2CYP2C8CYP2C9TP53
SCHEMBL19217624 0.70 FFAR1 (0.46) L3MBTL1NR4A2MAOBMAPT

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
WO-2021212054-A1 METHODS AND COMPOSITIONS FOR TREATING SUBJECTS WITH METABOLIC DISORDERS AND CORONAVIRUS INFECTIONS CIRIUS THERAPEUTICS, INC. (US) 2021-10-21 WO disclosed