SCHEMBL23399723

SCHEMBL23399723

CCCCc1c(O)nn(-c2ccc(OC)cc2)c1-c1cccc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
RAB9A P51151 1/20 0.42
CCKAR P32238 4/20 0.41
DPP4 P27487 1/20 0.40
TP53 P04637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2B6 P20813 1/20 0.39
PDE5A O76074 1/20 0.39
SRC P12931 1/20 0.39
RPA1 P27694 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL23402307 0.94 MAPT (0.44) MAPTNPSR1LMNATSHRRAB9A
SCHEMBL23401107 0.90 MAPT (0.44) MAPTNPSR1LMNATSHRRAB9A
SCHEMBL23401823 0.90 L3MBTL1 (0.45) MAPTNPSR1LMNATSHRRAB9A
SCHEMBL23401831 0.89 L3MBTL1 (0.45) MAPTNPSR1LMNATSHRRAB9A
SCHEMBL23402383 0.88 CNR1 (0.47) MAPTNPSR1LMNATSHRRAB9A
SCHEMBL23401030 0.86 NPSR1 (0.46) MAPTNPSR1LMNATSHRRAB9A
SCHEMBL23401738 0.86 ALDH1A1 (0.44) MAPTNPSR1LMNATSHRRAB9A
SCHEMBL23401181 0.86 DPP4 (0.41) MAPTNPSR1LMNATSHRRAB9A
SCHEMBL23402847 0.85 CCKAR (0.46) MAPTNPSR1LMNATSHRRAB9A
SCHEMBL23399334 0.84 TP53 (0.48) MAPTNPSR1LMNATSHRRAB9A

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