SCHEMBL31345278

SCHEMBL31345278

[2H]C1c2ccc(Br)cc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.57
NR1H2 P55055 1/20 0.53
ABHD6 Q9BV23 4/20 0.50
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
USP30 Q70CQ3 2/20 0.42
RORC P51449 2/20 0.41
HDAC1 Q13547 1/20 0.40
BACE1 P56817 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
ACACB O00763 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL1263942 0.91 ESR2 (0.61) ESR2NR1H2ABHD6NPC1RAB9A
SCHEMBL29528794 0.88 ESR2 (0.74) ESR2NR1H2ABHD6NPC1RAB9A
SCHEMBL587847 0.88 ESR2 (0.74) ESR2NR1H2ABHD6NPC1RAB9A
SCHEMBL29587073 0.85 NR1H2 (0.72) ESR2NR1H2ABHD6NPC1RAB9A
SCHEMBL1011003 0.85 NR1H2 (0.72) ESR2NR1H2ABHD6NPC1RAB9A
Hydrochloric Acid SCHEMBL38653092 0.84 NR1H2 (0.70) ESR2NR1H2ABHD6NPC1RAB9A
SCHEMBL1263385 0.81 ESR2 (0.63) ESR2NR1H2ABHD6NPC1RAB9A
SCHEMBL330056 0.79 ABHD6 (0.60) ESR2NR1H2ABHD6USP30RORC
SCHEMBL30951607 0.79 ABHD6 (0.60) ESR2NR1H2ABHD6USP30RORC
SCHEMBL30015334 0.78 ESR2 (0.54) ESR2NR1H2ABHD6NPC1RAB9A

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-4667471-A2 BROAD SPECTRUM ANTIVIRAL COMPOSITIONS AND METHODS Evrys Bio, LLC (US) 2025-12-24 EP disclosed
EP-3697783-B1 BROAD SPECTRUM ANTIVIRAL COMPOSITIONS AND METHODS EVRYS BIO LLC (US) 2024-12-11 EP disclosed