SCHEMBL23398784

SCHEMBL23398784

CCCCc1[nH]n(-c2cccc(C)c2)c(=O)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.43
MAPT P10636 5/20 0.43
TNF P01375 2/20 0.43
NOD2 Q9HC29 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NOD1 Q9Y239 1/20 0.43
GRM2 Q14416 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MGLL Q99685 1/20 0.39
HTT P42858 2/20 0.38
LITAF Q99732 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL23399097 0.92 ALKBH5 (0.45) ALKBH5MAPTTNFNOD2TDP1
SCHEMBL23400035 0.89 ALKBH5 (0.43) ALKBH5MAPTTNFNOD2TDP1
SCHEMBL23401815 0.87 ALKBH5 (0.41) ALKBH5MAPTTNFNOD2TDP1
SCHEMBL23400350 0.87 ALKBH5 (0.41) ALKBH5MAPTTNFNOD2TDP1
SCHEMBL23402127 0.86 ALKBH5 (0.47) ALKBH5MAPTTNFNOD2TDP1
SCHEMBL23401622 0.86 GAA (0.48) MAPTTDP1NPC1RAB9AKDM4E
SCHEMBL23400285 0.85 ALKBH5 (0.42) ALKBH5MAPTTNFNOD2TDP1
SCHEMBL23401647 0.85 ALKBH5 (0.42) ALKBH5MAPTTNFNOD2TDP1
SCHEMBL23401124 0.85 MAPT (0.40) ALKBH5MAPTTNFNOD2TDP1
SCHEMBL23399510 0.83 SMN1; SMN2 (0.45) MAPTTDP1NPC1RAB9AKDM4E

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed