SCHEMBL23399577

SCHEMBL23399577

CCCc1nn(CCC)c(O)c1CCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.36
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ESR1 P03372 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31

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
SCHEMBL23400647 0.92 USP2 (0.40) USP2ADORA2AADORA2B
SCHEMBL23401474 0.91 NPC1 (0.32) USP2KDM4EMAPK1NPSR1
SCHEMBL23403241 0.91 HPGD (0.35) USP2ADORA2AADORA2BESR1KDM4E
SCHEMBL23401348 0.90 USP2 (0.33) USP2ADORA2AADORA2BESR1KDM4E
SCHEMBL23402569 0.89 USP2 (0.35) USP2ESR1KMT2A
SCHEMBL23398909 0.86 USP2 (0.32) USP2
SCHEMBL23400858 0.86 USP2 (0.34) USP2ESR1KDM4EGMNNLMNA
SCHEMBL23402191 0.85 HPGD (0.36) ADORA2AADORA2BESR1KDM4ELMNA
SCHEMBL23398970 0.83 ESR1 (0.33) USP2ESR1KDM4ELMNAMAPK1
SCHEMBL23399242 0.82 ADORA2A (0.42) USP2ADORA2AADORA2BESR1KDM4E

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