SCHEMBL29973846

SCHEMBL29973846

C=C1C(=O)O[C@@H]2[C@H]3C(COC(=O)C(=O)O)=CC(=O)C3=C(C)C[C@H](OC(=O)Cc3ccc(O)cc3)[C@@H]12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ NPC1 O15118 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ CYP19A1 P11511 1/20 0.32
▸ PTPN1 P18031 1/20 0.31
▸ GPX4 P36969 2/20 0.31
▸ GPR52 Q9Y2T5 1/20 0.31
▸ FNTA P49354 1/20 0.31
▸ FNTB P49356 1/20 0.31
▸ PGGT1B P53609 1/20 0.31

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
SCHEMBL14215977 0.89 ALDH1A1 (0.48) ALDH1A1NPC1MAPTHTTRAB9A
SCHEMBL29974110 0.73 CYP19A1 (0.61) ALDH1A1PKMCYP19A1
SCHEMBL30608789 0.72 ALDH1A1 (0.69) ALDH1A1
SCHEMBL28907163 0.70 CYP19A1 (0.34) ALDH1A1CYP19A1
SCHEMBL30252306 0.69 CYP19A1 (0.52) ALDH1A1NPC1MAPTHTTRAB9A
SCHEMBL29756636 0.69 NPC1 (0.60) ALDH1A1NPC1MAPTHTTRAB9A
SCHEMBL25938254 0.69 CYP1A2 (0.56) ALDH1A1
SCHEMBL3031437 0.64 ALDH1A1 (1.00) ALDH1A1CYP19A1
SCHEMBL19036305 0.55 GPX4 (0.71) ALDH1A1NPC1MAPTHTTRAB9A
SCHEMBL19036316 0.55 GPX4 (0.76) ALDH1A1NPC1MAPTHTTRAB9A

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
WO-2023219526-A1 MULTITARGET ANTIVIRAL DIETARY SUPPLEMENT PROKIN MILAN (RS) 2023-11-16 — — WO claimed
US-20220339166-A1 POST COVID19 VACCINE REMEDIES IPRX, LLC 2022-10-27 — — US claimed
WO-2023219526-A1 MULTITARGET ANTIVIRAL DIETARY SUPPLEMENT PROKIN MILAN (RS) 2023-11-16 — — WO disclosed
WO-2023170340-A1 METHOD OF PRODUCING ANTIMICROBIAL EXTRACT FROM CHICORY TEKNOLOGIAN TUTKIMUSKESKUS VTT OY (FI) 2023-09-14 — — WO disclosed
US-20220315940-A1 GERMACRENE A SYNTHASE MUTANTS KEYGENE N.V. (NL) 2022-10-06 — — US disclosed
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