SCHEMBL23398647

SCHEMBL23398647

CCCCc1c(O)nn(C(C)C)c1-c1cccc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 1/20 0.38
SRC P12931 1/20 0.37
TLR8 Q9NR97 1/20 0.37
GCGR P47871 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
NPC1 O15118 2/20 0.34
POLB P06746 2/20 0.34
MAPK1 P28482 2/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL23402656 0.94 CTSS (0.39) TP53SRCTLR8GCGRTRPM8
SCHEMBL23401984 0.88 SRC (0.39) TP53SRCGCGRTRPM8NPC1
SCHEMBL23401292 0.87 HSD11B1 (0.40) ADORA3ADORA2AGCGRSMN1; SMN2
SCHEMBL23399447 0.85 SRC (0.39) TP53SRCGCGRTRPM8KDM4E
SCHEMBL23403178 0.84 HTR2A (0.41) TP53ADORA3ADORA2AGCGRKDM4E
SCHEMBL23403000 0.84 TP53 (0.42) TP53ADORA3ADORA2ASRCTLR8
SCHEMBL23400139 0.83 TP53 (0.45) TP53ADORA3ADORA2ATLR8TRPM8
SCHEMBL23401835 0.83 TP53 (0.39) TP53ADORA3ADORA2ATLR8GCGR
SCHEMBL23401397 0.82 NPC1 (0.42) TP53ADORA3ADORA2ATLR8GCGR
SCHEMBL23400476 0.80 SRC (0.42) SRCGCGRTRPM8KDM4ENPC1

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