SCHEMBL28917577

SCHEMBL28917577

CC(=O)c1cc2cc(C(C)(C)C)cc(C(C)(C)C)c2oc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.51
MAOA P21397 4/20 0.49
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 3/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CYP1A2 P05177 1/20 0.44
NT5E P21589 1/20 0.44
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
S1PR4 O95977 1/20 0.42
GLA P06280 1/20 0.42
MIF P14174 1/20 0.42
S1PR1 P21453 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR35 Q9HC97 2/20 0.42
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL28075577 0.88 GPR35 (0.56) MAOBMAOALMNATP53MAPT
SCHEMBL27951959 0.85 ALDH1A1 (0.48) MAOBMAOALMNATP53MAPT
Propene SCHEMBL27951956 0.82 GPR35 (0.50) MAOBMAOALMNATP53MAPT
SCHEMBL22001521 0.82 TP53 (0.41) MAOBMAOALMNATP53MAPT
SCHEMBL27951954 0.81 MAOB (0.55) MAOBMAOALMNATP53MAPT
SCHEMBL22001513 0.78 TP53 (0.39) MAOBMAOALMNATP53MAPT
SCHEMBL22001263 0.78 TP53 (0.39) MAOBMAOALMNATP53MAPT
SCHEMBL3879451 0.77 PLG (0.54) MAOBMAOATP53MAPTTDP1
SCHEMBL22001386 0.76 LMNA (0.43) MAOBMAOALMNATP53MAPT
SCHEMBL22001512 0.76 TNF (0.44) MAOBMAOALMNATP53MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115340532-B Wide-band optical absorption molecular material and application thereof 广东省科学院测试分析研究所(中国广州分析测试中心) 2024-04-23 CN disclosed
CN-115340532-A Broadband optical absorption molecular material and application thereof 广东省科学院测试分析研究所(中国广州分析测试中心) 2022-11-15 CN disclosed