SCHEMBL29686567

SCHEMBL29686567

COC(=O)C12CC(C(=O)Nc3ccc(-c4nc5cccc(F)c5o4)cc3)(C1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 4/20 0.44
▸ FASN P49327 1/20 0.42
▸ CEPT1 Q9Y6K0 5/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ MAPT P10636 5/20 0.41
▸ TP53 P04637 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL24454885 1.00 CETP (0.44) CETPFASNCEPT1NPC1RAB9A
SCHEMBL24454955 0.88 MAPT (0.43) CETPFASNCEPT1NPC1RAB9A
SCHEMBL24454912 0.83 FASN (0.44) CETPFASNCEPT1NPC1RAB9A
SCHEMBL31284610 0.83 FASN (0.44) CETPFASNCEPT1NPC1RAB9A
SCHEMBL24454878 0.82 MAPT (0.47) CETPFASNCEPT1NPC1RAB9A
SCHEMBL24454956 0.81 CETP (0.44) CETPFASNCEPT1NPC1RAB9A
SCHEMBL24454910 0.81 CETP (0.44) CETPFASNCEPT1NPC1RAB9A
SCHEMBL24454880 0.80 NPC1 (0.44) CETPFASNCEPT1NPC1RAB9A
SCHEMBL24454967 0.78 ALDH1A1 (0.44) CETPFASNCEPT1NPC1RAB9A
SCHEMBL24454903 0.78 CETP (0.42) CETPFASNCEPT1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247800-A1 N-SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-09-27 — — EP claimed
WO-2022106589-A1 N-SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-05-27 — — WO claimed
EP-4247800-B1 N-SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2024-11-13 — — EP disclosed
EP-4247800-A1 N-SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-09-27 — — EP disclosed
WO-2022106589-A1 N-SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-05-27 — — WO disclosed
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