SCHEMBL26401066

SCHEMBL26401066

COC(=O)C1(NC(=O)OC(C)(C)C)CCc2ccc(Br)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.46
BACE1 P56817 4/20 0.44
AAK1 Q2M2I8 9/20 0.37
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
PPIA P62937 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33

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
SCHEMBL29346209 0.91 GHSR (0.40) GHSRBACE1AAK1NPC1RECQL
SCHEMBL30758528 0.91 GHSR (0.40) GHSRBACE1AAK1NPC1RECQL
SCHEMBL31232553 0.87 GHSR (0.47) GHSRBACE1ALDH1A1PPIA
SCHEMBL26129956 0.87 GHSR (0.47) GHSRBACE1ALDH1A1PPIA
SCHEMBL9255997 0.86 GHSR (0.46) GHSRBACE1SMN1; SMN2PPIA
SCHEMBL5196233 0.84 GHSR (0.61) GHSRBACE1PPIA
SCHEMBL31232623 0.83 GHSR (0.47) GHSRBACE1ALDH1A1PPIA
SCHEMBL26130146 0.83 GHSR (0.47) GHSRBACE1ALDH1A1PPIA
SCHEMBL26129115 0.83 GHSR (0.46) GHSRBACE1NPC1RAB9ASMN1; SMN2
SCHEMBL31232508 0.83 GHSR (0.46) GHSRBACE1NPC1RAB9ASMN1; SMN2

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
WO-2023190878-A1 TETRAHYDRONAPHTHALENE DERIVATIVE Atransen Pharma株式会社 2023-10-05 WO disclosed