SCHEMBL28967256

SCHEMBL28967256

CC(C)(C[C@H](CCC(N)=O)COc1cccc(Br)c1Cl)NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.38
▸ HTR1D P28221 4/20 0.35
▸ CASR P41180 5/20 0.33
▸ ADRB2 P07550 4/20 0.33
▸ ADRB3 P13945 2/20 0.33
▸ HTR1B P28222 2/20 0.32
▸ MCL1 Q07820 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ AAK1 Q2M2I8 1/20 0.30
▸ CD274 Q9NZQ7 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
SCHEMBL23833230 0.78 MRGPRX4 (0.39) MRGPRX4HTR1DADRB2HTR1BKDM4E
SCHEMBL26205645 0.77 MRGPRX4 (0.43) MRGPRX4HTR1DHTR1BKDM4ELMNA
SCHEMBL30192999 0.75 AAK1 (0.48) MRGPRX4AAK1
SCHEMBL23833134 0.75 AAK1 (0.48) MRGPRX4AAK1
SCHEMBL22526336 0.75 AAK1 (0.48) MRGPRX4AAK1
SCHEMBL23833132 0.75 AAK1 (0.48) MRGPRX4AAK1
SCHEMBL28967225 0.69 ALOX15 (0.39) —
SCHEMBL26205637 0.67 SMN1; SMN2 (0.37) ADRB2KDM4ELMNACYP1A2SMN1; SMN2
SCHEMBL22525452 0.65 AAK1 (0.48) AAK1
SCHEMBL30169457 0.65 AAK1 (0.48) AAK1

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
CN-115776891-A STAT degradants and uses thereof 凯麦拉医疗公司 2023-03-10 — — CN disclosed
Send feedback