SCHEMBL8639291

SCHEMBL8639291

C=C(C)C(=O)OCCCCCCCCCCCOc1ccc(-c2ccc(OC3CCCCO3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 2/20 0.39
HRH3 Q9Y5N1 3/20 0.39
GPR119 Q8TDV5 4/20 0.38
TNK2 Q07912 3/20 0.38
ALDH1A1 P00352 1/20 0.37
RARB P10826 3/20 0.37

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
SCHEMBL8605732 0.84 MEN1 (0.52) HTTMEN1KMT2ATSHRHRH3
SCHEMBL219405 0.83 KMT2A (0.41) MEN1KMT2ATNK2
SCHEMBL6468963 0.81 POLB (0.46) POLBAPEX1HTTTDP1MEN1
SCHEMBL16982216 0.81 HTT (0.76) POLBAPEX1HTTTDP1TSHR
SCHEMBL13220831 0.81 HTT (0.76) POLBAPEX1HTTTDP1TSHR
SCHEMBL13289974 0.81 HTT (0.76) POLBAPEX1HTTTDP1TSHR
SCHEMBL3278746 0.81 MEN1 (0.40) POLBAPEX1HTTTDP1MEN1
SCHEMBL7736990 0.81 MEN1 (0.51) MEN1KMT2ATSHRTNK2RARB
SCHEMBL13083484 0.80 MEN1 (0.55) HTTMEN1KMT2ATSHRHRH3
SCHEMBL14400544 0.80 HTT (0.73) POLBAPEX1HTTTDP1TSHR

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
EP-0830440-A1 LIQUID-CRYSTALLINE POLYMER MATERIAL Lagerwall, Sven Yngve Torbjörn (SE) 1998-03-25 EP disclosed
WO-1996024648-A1 LIQUID-CRYSTALLINE POLYMER MATERIAL LAGERWALL SVEN TORBJOERN (SE) 1996-08-15 WO disclosed