SCHEMBL23401181

SCHEMBL23401181

CCCCc1nn(-c2ccc(OC)cc2)c(-c2cccc(C)c2)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
CCKAR P32238 4/20 0.41
TP53 P04637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
SRC P12931 1/20 0.38
RPA1 P27694 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 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
SCHEMBL23399021 0.94 PDE4A (0.43) DPP4MAPTNPSR1LMNATSHR
SCHEMBL23401496 0.90 L3MBTL1 (0.44) MAPTNPSR1LMNATSHRRAB9A
SCHEMBL23399186 0.89 MAPT (0.44) DPP4MAPTNPSR1LMNATSHR
SCHEMBL23402132 0.88 CNR1 (0.46) MAPTLMNARAB9ATP53ALDH1A1
SCHEMBL23398515 0.88 RPA1 (0.44) LMNARAB9AALDH1A1CYP1A2CYP3A4
SCHEMBL23403269 0.87 PTGS1 (0.40) MAPTNPSR1LMNATSHRRAB9A
SCHEMBL23399226 0.87 ALDH1A1 (0.43) MAPTLMNARAB9ATP53ALDH1A1
SCHEMBL23399723 0.86 MAPT (0.42) DPP4MAPTNPSR1LMNATSHR
SCHEMBL23398852 0.84 CCKAR (0.46) DPP4MAPTNPSR1LMNATSHR
SCHEMBL23401414 0.83 L3MBTL1 (0.46) 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