SCHEMBL21787939

SCHEMBL21787939

C=C(C)C(=O)OCCCCCCOc1ccc(-c2ccc(OCCCOC(=O)/C=C/c3ccc(OC)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 3/20 0.53
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53
HTT P42858 1/20 0.53
PPARA Q07869 2/20 0.46
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
FFAR1 O14842 1/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL14427873 0.94 TDP1 (0.53) LMNASMN1; SMN2TDP1POLBAPEX1
SCHEMBL13882297 0.94 TDP1 (0.53) LMNASMN1; SMN2TDP1POLBAPEX1
SCHEMBL2221973 0.92 LMNA (0.62) LMNASMN1; SMN2TDP1POLBAPEX1
SCHEMBL2221977 0.92 LMNA (0.62) LMNASMN1; SMN2TDP1POLBAPEX1
SCHEMBL7458090 0.91 LMNA (0.64) LMNASMN1; SMN2TDP1HDAC3HDAC1
SCHEMBL7458093 0.91 LMNA (0.64) LMNASMN1; SMN2TDP1HDAC3HDAC1
SCHEMBL7691704 0.90 TDP1 (0.56) LMNASMN1; SMN2TDP1POLBAPEX1
SCHEMBL28981019 0.90 TDP1 (0.56) LMNASMN1; SMN2TDP1POLBAPEX1
SCHEMBL7691707 0.90 TDP1 (0.56) LMNASMN1; SMN2TDP1POLBAPEX1
SCHEMBL21787938 0.90 TDP1 (0.56) LMNASMN1; SMN2TDP1POLBAPEX1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023008488-A1 POLYMER COMPOSITION AND SINGLE-LAYER RETARDATION MATERIAL 日産化学株式会社 2023-02-02 WO disclosed
WO-2020196698-A1 POLYMER COMPOSITION, LIQUID CRYSTAL ALIGNMENT FILM, LIQUID CRYSTAL DISPLAY ELEMENT, AND METHOD FOR PRODUCING SUBSTRATE HAVING LIQUID CRYSTAL ALIGNMENT FILM 日産化学株式会社 2020-10-01 WO disclosed
WO-2020045548-A1 METHOD FOR PRODUCING LIQUID CRYSTAL ALIGNMENT FILM, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2020-03-05 WO disclosed