SCHEMBL27376802

SCHEMBL27376802

CCC1(C(=O)OC)CC(OCc2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.40
KLK7 P49862 4/20 0.39
GPR119 Q8TDV5 1/20 0.37
STS P08842 1/20 0.37
SYK P43405 1/20 0.36
PDE4B Q07343 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
KLK5 Q9Y337 2/20 0.35
HTT P42858 1/20 0.35
EPHX2 P34913 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
YAP1 P46937 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL27376807 1.00 ABCB1 (0.40) ABCB1KLK7GPR119STSSYK
SCHEMBL29968185 0.92 ABCB1 (0.40) ABCB1KLK7STSPDE4B
SCHEMBL27223326 0.91 ABCB1 (0.40) ABCB1KLK7GPR119STSSYK
SCHEMBL27376812 0.91 ABCB1 (0.40) ABCB1KLK7GPR119STSSYK
SCHEMBL30821174 0.85 ABCB1 (0.41) ABCB1KLK7GPR119STSPDE4B
SCHEMBL24622152 0.81 ABCB1 (0.41) ABCB1KLK7GPR119STSBACE1
SCHEMBL21996508 0.81 ABCB1 (0.41) ABCB1KLK7GPR119STSBACE1
SCHEMBL22047128 0.81 ABCB1 (0.41) ABCB1KLK7STSBACE1BACE2
SCHEMBL5151803 0.81 ABCB1 (0.41) ABCB1KLK7GPR119STSBACE1
SCHEMBL28578227 0.81 TACR1 (0.35) ABCB1KLK7STSKLK5SMN1; 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-2024059806-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE PRELUDE THERAPEUTICS INCORPORATED (US) 2024-03-21 WO disclosed