SCHEMBL24818101

SCHEMBL24818101

Cn1c(=O)n(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c2ccc(Cc3ccc(CC(=O)O)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.37
▸ SRD5A2 P31213 2/20 0.36
▸ PKM P14618 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ BAK1 Q16611 1/20 0.35
▸ PPARG P37231 2/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ BRPF1 P55201 2/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ MAOB P27338 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL30273749 0.92 MAPT (0.38) GRM5SRD5A2PKMHPGDMCL1
SCHEMBL31397268 0.90 SRD5A2 (0.39) GRM5SRD5A2PKMMCL1BAK1
SCHEMBL31397430 0.87 FFAR1 (0.41) GRM5SRD5A2PKMPPARGNR1H2
SCHEMBL30274180 0.85 PKM (0.41) GRM5SRD5A2PKMMCL1BAK1
SCHEMBL31397093 0.85 MCHR1 (0.36) GRM5SRD5A2PKMKDM4EALDH1A1
SCHEMBL30273755 0.84 HDAC6 (0.40) GRM5SRD5A2PKMMCL1BAK1
SCHEMBL30026709 0.84 DGAT1 (0.40) GRM5PKMPPARGPPARDPPARA
SCHEMBL23540929 0.84 DGAT1 (0.40) GRM5PKMPPARGPPARDPPARA
SCHEMBL24819487 0.84 RXRA (0.39) GRM5PKMMCL1BAK1PPARD
SCHEMBL31397211 0.83 DGAT1 (0.39) GRM5SRD5A2PKMALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023019166-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS CALICO LIFE SCIENCES LLC (US) 2023-02-16 — — WO disclosed
WO-2022271727-A1 DEGRADER COMPOUNDS AND USES THEREOF CALICO LIFE SCIENCES LLC (US) 2022-12-29 — — WO disclosed
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