SCHEMBL16631060

SCHEMBL16631060

O=CCCc1cccc(-c2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.56
AKR1B1 P15121 1/20 0.56
FFAR4 Q5NUL3 1/20 0.56
GSTP1 P09211 2/20 0.54
PTGER4 P35408 2/20 0.53
PTGER3 P43115 1/20 0.53
MCL1 Q07820 1/20 0.51
NR4A2 P43354 1/20 0.49
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.46
LCK P06239 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
SCHEMBL2302446 0.86 FFAR4 (0.46) FFAR1AKR1B1FFAR4GSTP1NR4A2
SCHEMBL418611 0.85 GPR52 (0.50) FFAR1AKR1B1FFAR4NR4A2
SCHEMBL13680783 0.84 FFAR1 (0.45) FFAR1AKR1B1FFAR4GSTP1PTGER4
SCHEMBL18383719 0.84 CYP4F2 (0.64) FFAR1NR4A2MAOAMAOBLCK
SCHEMBL2772725 0.84 FFAR1 (0.61) FFAR1FFAR4NR4A2MAOAMAOB
SCHEMBL11464931 0.82 FFAR1 (0.59) FFAR1FFAR4NR4A2MAOAMAOB
SCHEMBL13680784 0.81 ABL1 (0.50) FFAR1PPARDMAOB
SCHEMBL18165304 0.81 FFAR1 (0.85) FFAR1AKR1B1FFAR4PTGER4PTGER3
SCHEMBL2807881 0.80 MAOA (0.70) FFAR1AKR1B1FFAR4GSTP1PTGER4
SCHEMBL16346074 0.79 GSTP1 (0.66) FFAR1AKR1B1FFAR4GSTP1PTGER4

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
WO-2015051045-A2 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed