SCHEMBL23399182

SCHEMBL23399182

CCCCc1c(C(C)(C)C)nn(CCCC)c1O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.35
CNR1 P21554 9/20 0.34
CNR2 P34972 9/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR1 P03372 1/20 0.31
TYR P14679 1/20 0.30

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
SCHEMBL23401854 0.94 HPGD (0.33) CNR1CNR2HPGDALDH1A1KDM4E
SCHEMBL23401561 0.94 CNR1 (0.34) NR1H3CNR1CNR2ESR1
SCHEMBL23399839 0.89 CNR1 (0.35) NR1H3CNR1CNR2ESR1
SCHEMBL23401912 0.89 NPC1 (0.33) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23401528 0.83 NR1H3 (0.36) NR1H3CNR1CNR2ALDH1A1POLB
SCHEMBL23398789 0.83 CNR1 (0.31) CNR1CNR2
SCHEMBL23403271 0.83 HPGD (0.34) CNR1CNR2HPGDALDH1A1KDM4E
SCHEMBL23400594 0.83 FFAR1 (0.34) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23400743 0.83 CNR1 (0.32) NR1H3CNR1CNR2
SCHEMBL23402468 0.80 HPGD (0.36) NR1H3HPGDALDH1A1KDM4ELMNA

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