SCHEMBL29277424

SCHEMBL29277424

O=CCc1coc2ccccc2c1=O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.67
▸ MAOA P21397 2/20 0.57
▸ PTPN1 P18031 1/20 0.57
▸ CYP11B1 P15538 3/20 0.55
▸ CYP11B2 P19099 3/20 0.55
▸ CYP17A1 P05093 1/20 0.55
▸ CYP19A1 P11511 1/20 0.55
▸ SIGMAR1 Q99720 2/20 0.51
▸ CA12 O43570 4/20 0.47
▸ CA1 P00915 4/20 0.47
▸ CA2 P00918 4/20 0.47
▸ CA9 Q16790 4/20 0.47
▸ HTR1A P08908 1/20 0.45
▸ PTGS2 P35354 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ IL4I1 Q96RQ9 1/20 0.43

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
SCHEMBL30633849 0.87 MAOB (0.53) MAOBMAOAPTPN1CYP11B1CYP11B2
SCHEMBL1299218 0.87 MAOB (0.53) MAOBMAOAPTPN1CYP11B1CYP11B2
SCHEMBL5676277 0.85 MAOB (0.65) MAOBMAOAPTPN1CYP11B1CYP11B2
Ammonia Solution, Strong SCHEMBL28664277 0.83 MAOB (0.63) MAOBMAOAPTPN1CYP11B1CYP11B2
SCHEMBL20378369 0.82 MAOB (0.76) MAOBMAOAPTPN1CYP11B1CYP11B2
SCHEMBL6557580 0.80 MAOB (1.00) MAOBMAOAPTPN1CYP11B1CYP11B2
SCHEMBL12655257 0.80 MAOB (0.73) MAOBMAOAPTPN1CYP11B1CYP11B2
SCHEMBL8359747 0.79 MAOB (0.71) MAOBMAOAPTPN1CYP11B1CYP11B2
SCHEMBL292868 0.79 MAOB (0.71) MAOBMAOAPTPN1CYP11B1CYP11B2
SCHEMBL9075843 0.79 MAOB (0.71) MAOBMAOAPTPN1CYP11B1CYP11B2

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-117285925-A Ratio fluorescence and colorimetric dual-mode reagent for detecting ethylenediamine based on electron energy transfer mechanism 中国科学院新疆理化技术研究所 2023-12-26 — — CN disclosed
Send feedback