SCHEMBL23399115

SCHEMBL23399115

CCCc1nn(C)c(O)c1-c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.40
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
HEXA P06865 2/20 0.36
HEXB P07686 2/20 0.36
GCGR P47871 1/20 0.35
TLR8 Q9NR97 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 1/20 0.34
PDE5A O76074 2/20 0.33
TP53 P04637 1/20 0.33
USP7 Q93009 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
SCHEMBL23399051 0.91 DPP4 (0.43) DPP4NPC1RAB9AHEXAHEXB
SCHEMBL23399022 0.87 HEXA (0.44) DPP4DPP8DPP9NPC1HEXA
SCHEMBL23399929 0.86 PDE5A (0.45) NPC1RAB9AGCGRALDH1A1SMN1; SMN2
SCHEMBL23402854 0.85 DPP4 (0.39) DPP4DPP8DPP9HEXAHEXB
SCHEMBL23402843 0.83 DPP4 (0.40) DPP4DPP8DPP9HEXAHEXB
SCHEMBL23400438 0.82 GCGR (0.38) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL23402528 0.82 MAPT (0.42) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL23399466 0.81 DPP4 (0.41) DPP4DPP8DPP9HEXAHEXB
SCHEMBL23402943 0.78 MAPT (0.40) DPP4NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL23399050 0.76 MAPT (0.44) NPC1RAB9AHEXAHEXBALDH1A1

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