SCHEMBL9098050

SCHEMBL9098050

COc1cc(OC)c(OC)cc1C=C(C#N)c1cccc(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.55
▸ MEN1 O00255 6/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ NPSR1 Q6W5P4 5/20 0.55
▸ LMNA P02545 4/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ RECQL P46063 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ THRB P10828 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HIF1A Q16665 1/20 0.48
▸ EGFR P00533 1/20 0.48

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
SCHEMBL9098046 1.00 MAPT (0.55) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL9095326 0.86 MAPT (0.53) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL9095321 0.86 MAPT (0.53) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL9096692 0.85 MAPT (0.60) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL9096686 0.85 MAPT (0.60) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL9096699 0.85 MAPT (0.55) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL9096703 0.85 MAPT (0.55) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL11822398 0.83 MAPT (0.55) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL8107381 0.80 MAPT (0.48) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL8118206 0.80 MAPT (0.48) MAPTMEN1KMT2ANPSR1LMNA

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
US-5574062-A COMPOUNDS HAVE 3-ARYL AND 7-HYDROXY OR -ACYLOXY; USE TO INHIBIT 12-LIPOXYGENASE MORINAGA MILK INDUSTRY CO., LTD. (JP) 1996-11-12 — — US disclosed
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