SCHEMBL17033943

SCHEMBL17033943

C=C(C)C(=O)OCCOCCOc1ccccc1OCCOC(=O)C(=C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.57
▸ LMNA P02545 6/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ THRB P10828 1/20 0.54
▸ KMT2A Q03164 1/20 0.50
▸ PTK2B Q14289 1/20 0.50
▸ POLB P06746 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL17036757 0.95 ALDH1A1 (0.53) ALDH1A1LMNAKDM4ESMN1; SMN2THRB
SCHEMBL10580556 0.95 THRB (0.50) ALDH1A1LMNAKDM4ESMN1; SMN2THRB
SCHEMBL8363546 0.89 NPSR1 (0.57) ALDH1A1LMNAKDM4ESMN1; SMN2THRB
SCHEMBL17034305 0.89 ALDH1A1 (0.70) ALDH1A1LMNAKDM4ESMN1; SMN2THRB
SCHEMBL17036774 0.89 ALDH1A1 (0.49) ALDH1A1LMNAKDM4ESMN1; SMN2THRB
SCHEMBL17036922 0.89 ALDH1A1 (0.60) ALDH1A1LMNAKDM4ESMN1; SMN2THRB
SCHEMBL25123525 0.87 ALDH1A1 (0.60) ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL25796435 0.87 ALDH1A1 (0.60) ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL1938350 0.87 THRB (0.46) ALDH1A1LMNAKDM4ESMN1; SMN2THRB
SCHEMBL4580084 0.86 GAA (0.58) ALDH1A1LMNAKDM4ESMN1; SMN2THRB

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-2015126865-A1 ADHESIVE BONDING COMPOSITION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-08-27 — — WO disclosed
WO-2015126862-A1 DENTAL COMPOSITION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-08-27 — — WO disclosed
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