SCHEMBL31050182

SCHEMBL31050182

C=C(C)COc1ccc(N2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.64
▸ MEN1 O00255 4/20 0.64
▸ PPARD Q03181 1/20 0.61
▸ PPARA Q07869 1/20 0.61
▸ NR1H3 Q13133 2/20 0.54
▸ ALDH1A1 P00352 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ PPARG P37231 1/20 0.51
▸ CA9 Q16790 2/20 0.50
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ GPR174 Q9BXC1 1/20 0.49
▸ SCN2A Q99250 2/20 0.49
▸ GAA P10253 2/20 0.48
▸ POLB P06746 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CASP3 P42574 1/20 0.46

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
SCHEMBL9550628 0.80 MGLL (0.54) KMT2AMEN1ALDH1A1GPR174POLB
SCHEMBL11862277 0.80 KDM4E (0.74) KMT2AMEN1PPARDPPARANR1H3
SCHEMBL10584174 0.77 KDM4E (0.59) KMT2AMEN1PPARDPPARANR1H3
SCHEMBL7150732 0.75 GLA (0.61) KMT2AMEN1PPARDPPARANR1H3
SCHEMBL8206768 0.75 ALDH1A1 (0.60) ALDH1A1POLBRAB9A
SCHEMBL10338925 0.75 GPR174 (0.58) KMT2AMEN1ALDH1A1KDM4EGPR174
SCHEMBL2550387 0.74 NR1H3 (0.81) KMT2AMEN1NR1H3ALDH1A1KDM4E
SCHEMBL4726090 0.73 KMT2A (0.61) KMT2AMEN1PPARDPPARANR1H3
SCHEMBL3408445 0.73 KMT2A (0.66) KMT2AMEN1PPARDPPARANR1H3
SCHEMBL1486040 0.73 GPR174 (0.62) KMT2AMEN1ALDH1A1GPR174RAB9A

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
WO-2024166693-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, LIQUID CRYSTAL DISPLAY ELEMENT, COMPOUND AND POLYMER 日産化学株式会社 2024-08-15 — — WO disclosed
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