SCHEMBL8525301

SCHEMBL8525301

COc1ccc2c3c1c(=O)c1ccccc1c3c1ccc(OC)c3c(=O)c4ccccc4c2c31

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.51
▸ ABCG2 Q9UNQ0 2/20 0.50
▸ MAPT P10636 4/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ IDO1 P14902 1/20 0.44
▸ EP300 Q09472 1/20 0.43
▸ KAT8 Q9H7Z6 1/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ MCL1 Q07820 1/20 0.41

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
SCHEMBL16590523 0.80 ALDH1A1 (0.49) MAOAABCG2MAPTCYP1A2CYP3A4
SCHEMBL20668932 0.75 S100A4 (0.43) MAOAMAPTNPC1CYP1A2CYP3A4
SCHEMBL20668931 0.75 S100A4 (0.43) MAOAMAPTNPC1CYP1A2CYP3A4
SCHEMBL9765527 0.75 MAPT (0.55) MAOAABCG2MAPTNPC1CYP1A2
SCHEMBL20669039 0.73 S100A4 (0.42) MAOAMAPTNPC1CYP1A2CYP3A4
SCHEMBL20668933 0.73 S100A4 (0.42) MAOAMAPTNPC1CYP1A2CYP3A4
SCHEMBL7984639 0.73 MAPT (0.44) MAOAABCG2MAPTCYP3A4HPGD
SCHEMBL20669047 0.73 S100A4 (0.45) MAOAMAPTNPC1CYP1A2CYP3A4
SCHEMBL5017301 0.72 S100A4 (0.48) MAOAABCG2MAPTNPC1CYP1A2
SCHEMBL25234735 0.72 S100A4 (0.48) MAOAABCG2MAPTNPC1CYP1A2

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
WO-1999046230-A1 FLUORESCENT ORGANIC COMPOUNDS DIATECH PTY. LTD. (AU) 1999-09-16 — — WO claimed
WO-1999046230-A1 FLUORESCENT ORGANIC COMPOUNDS DIATECH PTY. LTD. (AU) 1999-09-16 — — WO disclosed
Send feedback