SCHEMBL31494429

SCHEMBL31494429

CC(C)(C)c1cc(O)nc(SCCCc2nc(-c3ccccc3)no2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ L3MBTL1 Q9Y468 5/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ NOTUM Q6P988 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 4/20 0.41
▸ TP53 P04637 1/20 0.41

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
SCHEMBL27218848 0.90 SIRT2 (0.52) ALDH1A1L3MBTL1TDP1HDAC1HDAC2
SCHEMBL27218694 0.90 HDAC1 (0.49) ALDH1A1L3MBTL1TDP1ATMHDAC1
SCHEMBL27218682 0.88 S1PR1 (0.45) ALDH1A1HDAC1HDAC2HDAC8RAB9A
SCHEMBL27218808 0.85 RAB9A (0.50) ALDH1A1L3MBTL1TDP1ATMHDAC1
SCHEMBL29808217 0.83 L3MBTL1 (0.47) ALDH1A1L3MBTL1TDP1ATMHDAC1
SCHEMBL27218893 0.80 S1PR1 (0.47) ALDH1A1L3MBTL1HDAC1HDAC2HDAC8
SCHEMBL27218812 0.80 SIRT2 (0.52) ALDH1A1L3MBTL1TDP1ATMHDAC1
SCHEMBL27218707 0.77 SMN1; SMN2 (0.48) ALDH1A1L3MBTL1TDP1ATMHDAC1
SCHEMBL31494416 0.75 RAB9A (0.54) ALDH1A1L3MBTL1TDP1ATMHDAC1
SCHEMBL29808136 0.73 TDP1 (0.50) ALDH1A1L3MBTL1TDP1ATMHDAC1

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
EP-4232448-B1 AGONISTS OF FREE FATTY ACID RECEPTOR 1 AND THEIR USE IN DISEASES ASSOCIATED WITH SAID RECEPTOR Halo Therapeutics Ltd (GB) 2025-05-07 — — EP disclosed
EP-3956323-B1 OXAZOLE AND OXADIAZOLE DERIVATIVES USEFUL AS AGONISTS OF FREE FATTY ACID RECEPTOR 1 Halo Therapeutics Ltd (GB) 2025-03-05 — — EP disclosed
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