SCHEMBL23398956

SCHEMBL23398956

CC(C)Cn1nc(C(C)(C)C)cc1O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRN P28799 5/20 0.39
SORT1 Q99523 5/20 0.39
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CNR1 P21554 4/20 0.35
CNR2 P34972 4/20 0.35
CTSL P07711 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RAF1 P04049 2/20 0.32
BRAF P15056 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL24884406 0.80 LMNA (0.40) GRNSORT1KDM4ECNR1CNR2
SCHEMBL24415702 0.80 GRN (0.36) GRNSORT1NPC1KDM4ECNR1
SCHEMBL23402761 0.79 GRN (0.44) GRNSORT1NPC1KDM4ECNR1
Hydrochloric Acid SCHEMBL1011856 0.77 KDM4E (0.41) GRNSORT1NPC1KDM4ECNR1
SCHEMBL23403189 0.77 NR1H2 (0.38) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL23402437 0.76 CNR1 (0.44) GRNSORT1NPC1KDM4ECNR1
SCHEMBL23398583 0.76 LMNA (0.46) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL23400860 0.74 HTR2A (0.32) KDM4EMEN1KMT2AMAPT
SCHEMBL23399998 0.74 GABRA1 (0.35) KDM4EMEN1KMT2AMAPT
SCHEMBL23399829 0.74 CNR1 (0.52) GRNSORT1KDM4ECNR1CNR2

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