SCHEMBL23402437

SCHEMBL23402437

CCCn1nc(C(C)(C)C)cc1O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.44
CNR2 P34972 7/20 0.44
GRN P28799 5/20 0.40
SORT1 Q99523 5/20 0.40
KDM4E B2RXH2 1/20 0.40
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ESR1 P03372 1/20 0.35
MAPK14 Q16539 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.34
BRAF P15056 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL23399829 0.89 CNR1 (0.52) CNR1CNR2GRNSORT1KDM4E
SCHEMBL23402761 0.85 GRN (0.44) CNR1CNR2GRNSORT1KDM4E
SCHEMBL538163 0.84 LMNA (0.44) KDM4EADORA2AADORA2BESR1ALDH1A1
SCHEMBL15071315 0.79 CNR1 (0.42) CNR1CNR2GRNSORT1KDM4E
SCHEMBL15069889 0.79 CNR1 (0.49) CNR1CNR2GRNSORT1KDM4E
SCHEMBL283910 0.78 KDM4E (0.44) CNR1CNR2GRNSORT1KDM4E
SCHEMBL23398956 0.76 GRN (0.39) CNR1CNR2GRNSORT1KDM4E
SCHEMBL9906364 0.75 CNR1 (0.43) CNR1CNR2GRNSORT1KDM4E
SCHEMBL23398677 0.75 ADORA2A (0.40) CNR1CNR2ADORA2AADORA2BESR1
SCHEMBL23398627 0.75 ADORA2B (0.44) KDM4EADORA2AADORA2BESR1ALDH1A1

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