SCHEMBL9855976

SCHEMBL9855976

COc1ccc(/C=C/C(=O)OCOC(=O)/C=C/c2ccc(OC)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
GSK3B P49841 2/20 0.67
F3 P13726 2/20 0.66
THRB P10828 1/20 0.64
ATM Q13315 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.63
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPT P10636 1/20 0.60
HDAC3 O15379 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
CASP3 P42574 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
GAA P10253 1/20 0.59
RAB9A P51151 2/20 0.58

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
SCHEMBL9855983 1.00 LMNA (0.68) LMNATDP1GSK3BF3THRB
SCHEMBL8444968 0.89 LMNA (0.60) LMNATDP1GSK3BF3THRB
4-Methoxy Ethyl Cinnamate SCHEMBL15190 0.88 CA12 (0.71) LMNATDP1GSK3BF3THRB
4-Methoxy Ethyl Cinnamate SCHEMBL1056347 0.88 CA12 (0.71) LMNATDP1GSK3BF3THRB
4-Methoxy Ethyl Cinnamate SCHEMBL434842 0.88 CA12 (0.71) LMNATDP1GSK3BF3THRB
SCHEMBL2135887 0.87 KMT2A (0.66) LMNATDP1GSK3BF3THRB
SCHEMBL10428067 0.87 LMNA (0.69) LMNATDP1GSK3BF3THRB
SCHEMBL2135879 0.87 KMT2A (0.66) LMNATDP1GSK3BF3THRB
SCHEMBL10428068 0.87 LMNA (0.65) LMNATDP1GSK3BF3THRB
SCHEMBL10428069 0.87 LMNA (0.65) LMNATDP1GSK3BF3THRB

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
EP-0263492-B1 RETINOIDS, THEIR PREPARATION AND USE AS PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 EP claimed
US-4900478-A SKIN DISORDERS HOFFMANN-LA ROCHE INC. (US) 1990-02-13 US claimed
US-4900478-A SKIN DISORDERS HOFFMANN-LA ROCHE INC. (US) 1990-02-13 US disclosed