SCHEMBL28830366

SCHEMBL28830366

C=C(C)C(=O)OC(C)Oc1ccccc1-c1ccccc1.C=Cc1ccccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ADRA2A P08913 5/20 0.34
▸ ADRA2B P18089 5/20 0.34
▸ ADRA2C P18825 5/20 0.34
▸ KDM4E B2RXH2 5/20 0.34
▸ LMNA P02545 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ USP2 O75604 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ MAOA P21397 3/20 0.32

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
SCHEMBL7524385 0.87 LMNA (0.41) L3MBTL1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL28678091 0.85 ALDH1A1 (0.35) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL28146852 0.82 L3MBTL1 (0.41) L3MBTL1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL649096 0.78 HPGD (0.42) L3MBTL1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL3684734 0.77 HTT (0.41) L3MBTL1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL10764874 0.75 KMT2A (0.42) ALDH1A1KMT2ASMN1; SMN2KDM4ELMNA
Acrylic Acid SCHEMBL26650788 0.75 KDM4E (0.38) L3MBTL1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL29004563 0.75 KDM4E (0.41) L3MBTL1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL16240774 0.72 HTT (0.39) L3MBTL1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL5182045 0.71 ALDH1A1 (0.48) L3MBTL1ALDH1A1KMT2ASMN1; SMN2MEN1

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-105849000-A Double-sided adhesive tape for fixing aircraft member 日本合成化学工业株式会社 2016-08-10 — — CN disclosed
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