SCHEMBL27768231

SCHEMBL27768231

O=C1C=CC(=O)C(C2C=CCC2)=C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL27768230 0.89 MAOA (0.52) MAOAMAOBALDH1A1
SCHEMBL30945992 0.70 MAOA (0.83) MAOAMAOBMEN1ALDH1A1MAPT
SCHEMBL10997303 0.68 PPARA (0.30)
SCHEMBL9273561 0.67 MAOA (1.00) MAOAMAOBMEN1ALDH1A1MAPT
SCHEMBL29266041 0.65 MAOA (0.96) MAOAMAOBMEN1ALDH1A1MAPT
SCHEMBL9343961 0.65 MAOA (0.96) MAOAMAOBMEN1ALDH1A1MAPT
SCHEMBL29191461 0.65 MAOA (0.50) MAOAMAOBMEN1ALDH1A1MAPT
SCHEMBL29130494 0.64 MAOA (0.48) MAOAMAOBMEN1ALDH1A1MAPT
SCHEMBL28124678 0.63 MAPT (0.31) MAOAMAOBMAPT
SCHEMBL29224140 0.63 MAOA (0.68) MAOAMAOBMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101624332-A Novel compound with antitumor activity and application thereof GUANZHOU INST OF BIOMEDICINE A 2010-01-13 CN claimed
CN-101624332-B Novel compound with antitumor activity and application thereof GUANZHOU INST OF BIOMEDICINE AND HEALTH CHINESE ACADEMY OF SCIENCE 2012-11-21 CN disclosed
CN-101624332-A Novel compound with antitumor activity and application thereof GUANZHOU INST OF BIOMEDICINE A 2010-01-13 CN disclosed