SCHEMBL29993128

SCHEMBL29993128

O=C(O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ LGALS9 O00182 1/20 0.45
▸ LGALS1 P09382 1/20 0.45
▸ LGALS3 P17931 1/20 0.45
▸ LGALS7; LGALS7B P47929 1/20 0.45
▸ MAOB P27338 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SLC28A3 Q9HAS3 2/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL502585 1.00 ALDH1A1 (0.46) ALDH1A1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL25333021 1.00 ALDH1A1 (0.46) ALDH1A1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL21828727 1.00 ALDH1A1 (0.46) ALDH1A1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL25387949 1.00 ALDH1A1 (0.46) ALDH1A1LGALS9LGALS1LGALS3LGALS7; LGALS7B
Niacinamide SCHEMBL28136690 0.85 F7 (0.51) ALDH1A1MAOBSLC28A3
Niacinamide SCHEMBL17315028 0.84 F7 (0.50) ALDH1A1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL19717962 0.84 LGALS9 (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL6570199 0.84 LGALS9 (0.61) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL7141014 0.84 LGALS9 (0.61) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL6570202 0.84 LGALS9 (0.61) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4322932-A1 FORMULATIONS OF NICOTINIC ACID DERIVATIVES AND FLAVONOID POLYPHENOLS AND USES THEREOF Animal Biosciences, Inc. (US) 2024-02-21 — — EP disclosed
US-20230302033-A1 FORMULATIONS OF NICOTINIC ACID DERIVATIVES AND FLAVONOID POLYPHENOLS AND USES THEREOF ANIMAL BIOSCIENCES, INC. 2023-09-28 — — US disclosed
WO-2022221401-A1 FORMULATIONS OF NICOTINIC ACID DERIVATIVES AND FLAVONOID POLYPHENOLS AND USES THEREOF ANIMAL BIOSCIENCES, INC. (US) 2022-10-20 — — WO disclosed
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