SCHEMBL30979545

SCHEMBL30979545

C[C@@H]1c2c(c3cc(Br)c4ccccc4c3oc2=O)O[C@@H]1C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.33
ESR1 P03372 2/20 0.33
MAOB P27338 1/20 0.31
CSNK2A1 P68400 1/20 0.30
GPR35 Q9HC97 1/20 0.30

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
SCHEMBL22655393 1.00 ESR2 (0.33) ESR2ESR1MAOBCSNK2A1GPR35
SCHEMBL22655415 0.84 AKR1B1 (0.35) ESR2ESR1GPR35
SCHEMBL30979544 0.84 AKR1B1 (0.35) ESR2ESR1GPR35
SCHEMBL22655416 0.83 NPC1 (0.40) ESR2ESR1MAOB
SCHEMBL22655392 0.83 NPC1 (0.40) ESR2ESR1MAOB
SCHEMBL22655397 0.78 KMT2A (0.44) ESR1CSNK2A1
SCHEMBL22655395 0.78 KMT2A (0.44) ESR1CSNK2A1
SCHEMBL22655410 0.77 CES1 (0.46) ESR2ESR1
SCHEMBL22667191 0.74 CYP1A2 (0.49) ESR2
SCHEMBL22667193 0.74 CYP1A2 (0.49) ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601294-B1 ATF3 INDUCTION COMPOUNDS UNIV TAIPEI MEDICAL (TW) 2024-07-10 EP disclosed