SCHEMBL27157276

SCHEMBL27157276

CC(C)(C)OC(=O)N1CCCC(C(=O)NNC(=O)c2ccccc2C(F)(F)F)C1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ PTGES O14684 2/20 0.43
▸ WNT3 P56703 2/20 0.40
▸ SFRP1 Q8N474 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ ACKR3 P25106 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KLK7 P49862 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ SLC6A1 P30531 2/20 0.36

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
SCHEMBL27157329 0.79 KMT2A (0.48) KMT2AMEN1PTGESSFRP1ACKR3
SCHEMBL17064024 0.73 MEN1 (0.55) KMT2AMEN1WNT3SFRP1NPC1
SCHEMBL17064026 0.73 MEN1 (0.55) KMT2AMEN1WNT3SFRP1NPC1
SCHEMBL30463745 0.71 MEN1 (0.55) KMT2AMEN1PTGESNPC1LMNA
SCHEMBL22556375 0.71 MEN1 (0.55) KMT2AMEN1PTGESNPC1LMNA
SCHEMBL1222596 0.70 POLB (0.56) SFRP1LMNAALDH1A1
SCHEMBL4954647 0.69 NPC1 (0.59) KMT2AMEN1NPC1LMNANPSR1
SCHEMBL4954654 0.69 NPC1 (0.59) KMT2AMEN1NPC1LMNANPSR1
SCHEMBL25933 0.68 POLB (0.58) KMT2AMEN1
SCHEMBL28529044 0.67 NPC1 (0.46) KMT2AMEN1WNT3SFRP1NPC1

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-4329880-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-03-06 — — EP disclosed
Send feedback