SCHEMBL31076000

SCHEMBL31076000

CC(C)(C)OC(=O)N1CCCc2ccc(CCCCC=O)nc21.CC(C)(C)OC(=O)N1CCCc2ccc(CCCCC=O)nc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.37
ITGAV P06756 1/20 0.37
ITGB6 P18564 1/20 0.37
FGFR4 P22455 13/20 0.35
GPR119 Q8TDV5 1/20 0.34
BRD4 O60885 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ESR2 Q92731 1/20 0.33
CYP11B2 P19099 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
SCHEMBL20025188 1.00 MPO (0.37) MPOITGAVITGB6FGFR4GPR119
SCHEMBL26314452 0.99 MPO (0.37) MPOITGAVITGB6FGFR4GPR119
SCHEMBL29416391 0.97 MPO (0.38) MPOITGAVITGB6FGFR4GPR119
SCHEMBL20158202 0.97 MPO (0.38) MPOITGAVITGB6FGFR4GPR119
SCHEMBL20153411 0.94 MPO (0.37) MPOITGAVITGB6FGFR4GPR119
SCHEMBL29860313 0.94 MPO (0.37) MPOITGAVITGB6FGFR4GPR119
SCHEMBL20158352 0.93 MPO (0.39) MPOFGFR4BRD4NPC1RAB9A
SCHEMBL20025208 0.91 MPO (0.37) MPOITGAVITGB6FGFR4GPR119
SCHEMBL14380644 0.90 MPO (0.38) MPOITGAVITGB6FGFR4GPR119
SCHEMBL21328581 0.89 MPO (0.39) MPOITGAVITGB6FGFR4GPR119

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-4665458-A1 INHIBITING ALPHA V BETA8 INTEGRIN Morphic Therapeutic, Inc. (US) 2025-12-24 EP disclosed
WO-2024173572-A1 INHIBITING α vβ8 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2024-08-22 WO disclosed