SCHEMBL820563

SCHEMBL820563

C=C(CCCOc1cccc(-c2ccccc2)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.59
FFAR1 O14842 3/20 0.59
HDAC1 Q13547 3/20 0.58
HDAC2 Q92769 3/20 0.58
HRH3 Q9Y5N1 6/20 0.53
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
MCL1 Q07820 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
LTA4H P09960 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
PPARG P37231 1/20 0.46

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
SCHEMBL3189876 0.86 HDAC1 (0.63) FFAR4FFAR1HDAC1HDAC2HRH3
SCHEMBL15255 0.86 KCNA3 (0.54) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7046130 0.84 FFAR4 (0.78) FFAR4FFAR1HDAC1HDAC2HRH3
SCHEMBL819739 0.82 SMN1; SMN2 (0.59)
SCHEMBL17556053 0.82 HDAC1 (0.70) HDAC1HDAC2HRH3HDAC3HDAC4
SCHEMBL819985 0.81 HDAC1 (0.58) FFAR1HDAC1HDAC2HDAC3HDAC4
SCHEMBL17556047 0.81 HDAC1 (0.73) HDAC1HDAC2HRH3HDAC3HDAC4
SCHEMBL17556003 0.81 HDAC1 (0.73) HDAC1HDAC2HRH3HDAC3HDAC4
SCHEMBL17555981 0.81 HDAC1 (0.73) HDAC1HDAC2HRH3HDAC3HDAC4
SCHEMBL17555969 0.81 HDAC1 (0.73) HDAC1HDAC2HRH3HDAC3HDAC4

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
US-20120010361-A1 CURABLE COMPOSITION AND CURED PRODUCT THEREOF SHOWA DENKO K.K. (JP) 2012-01-12 US disclosed