SCHEMBL16631059

SCHEMBL16631059

CCc1cccc(-c2ccc(OCc3ccccc3CBr)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.44
PTGER3 P43115 1/20 0.44
BCL2 P10415 1/20 0.43
FFAR1 O14842 5/20 0.43
AKR1B1 P15121 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PTGS2 P35354 1/20 0.43
CFD P00746 1/20 0.43
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
PPARD Q03181 1/20 0.40
F2 P00734 1/20 0.40
RXRA P19793 1/20 0.40
GSTP1 P09211 1/20 0.40
NR4A2 P43354 1/20 0.39

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
SCHEMBL17954208 0.86 BCL2 (0.47) PTGER4PTGER3BCL2FFAR1AKR1B1
SCHEMBL17954222 0.75 FFAR1 (0.52) BCL2FFAR1AKR1B1FFAR4PTGS2
SCHEMBL16631080 0.74 MAOB (0.47) FFAR1AKR1B1FFAR4F2RXRA
SCHEMBL9464001 0.74 MAOB (0.49) FFAR1FFAR4PTGS2F2
SCHEMBL18102828 0.74 MRGPRX4 (0.62) PTGER4BCL2FFAR1AKR1B1FFAR4
SCHEMBL4090500 0.73 ABL1 (0.59) BCL2FFAR1PTGS2PPARD
SCHEMBL12585463 0.72 GSTP1 (0.54) PTGER4PTGER3FFAR1AKR1B1FFAR4
SCHEMBL695715 0.72 SMN1; SMN2 (0.50) FFAR1FFAR4PTGS2F2NR4A2
SCHEMBL26774780 0.72 CYSLTR1 (0.59)
SCHEMBL3037130 0.72 BCL2 (0.67) BCL2PTGS2

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