SCHEMBL30679074

SCHEMBL30679074

OCC(F)(F)CCO[C@@H]1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4C Q9H3R0 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL22436681 1.00 MEN1 (0.41) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL9156540 0.83 MEN1 (0.37) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL14961267 0.82 MEN1 (0.41) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL12336902 0.80 MEN1 (0.44) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL14961308 0.79 MEN1 (0.40) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL21436952 0.78 MEN1 (0.47) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL115434 0.78 MEN1 (0.47) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL14961269 0.77 MEN1 (0.36) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL8743545 0.77 MEN1 (0.35) MEN1KMT2AKDM4CL3MBTL1
SCHEMBL14961338 0.77 MEN1 (0.38) MEN1KMT2AKDM4CL3MBTL1NPC1

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-111757884-B Substituted macrocyclic indole derivatives 拜耳股份公司 2023-12-19 CN disclosed