SCHEMBL31357488

SCHEMBL31357488

CC(C)c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C(C)C)nc3c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.42
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
HSP90AA1 P07900 2/20 0.38
RARA P10276 1/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HTR1B P28222 1/20 0.37
HTR2B P41595 1/20 0.37
GPR65 Q8IYL9 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL13883285 0.89 TOP2A (0.41) METAP2ADORA3ADORA2AADORA2BADORA1
SCHEMBL20286671 0.89 MAOA (0.42) METAP2ADORA3ADORA2AADORA2BADORA1
SCHEMBL23434067 0.86 L3MBTL1 (0.39) METAP2HSP90AA1RARAHPGDHSD17B10
SCHEMBL5411729 0.85 METAP2 (0.39) METAP2ADORA3ADORA2AADORA2BADORA1
SCHEMBL24162469 0.85 HSP90AA1 (0.38) METAP2HSP90AA1RARAHPGDHTR1B
SCHEMBL17570276 0.83 METAP2 (0.35) METAP2ADORA3ADORA2AADORA2BADORA1
SCHEMBL28314077 0.83 GRM2 (0.35) HSP90AA1MAPTKDM4E
SCHEMBL23434473 0.83 CCR1 (0.37) METAP2ADORA2AADORA1HSP90AA1RARA
SCHEMBL1102413 0.82 ACACA (0.50) METAP2HPGDALDH1A1MAPTKDM4E
SCHEMBL23434619 0.82 RARA (0.39) METAP2ADORA3ADORA2AADORA2BADORA1

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
CN-119390550-A Method for catalytically cracking beta-O-4 lignin model compound by using visible light 浙江工业大学 2025-02-07 CN disclosed