SCHEMBL6274199

SCHEMBL6274199

O=C(O)c1ccc(CCc2cc(Cl)cc(Br)c2OCc2cc(F)cc(F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.41
MRGPRX4 Q96LA9 3/20 0.41
RXRA P19793 3/20 0.41
RXRB P28702 3/20 0.41
RXRG P48443 2/20 0.41
PTGER4 P35408 1/20 0.41
PTGER2 P43116 1/20 0.41
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
THRA P10827 3/20 0.40
THRB P10828 3/20 0.40
NR1H4 Q96RI1 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
APEX1 P27695 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6275841 0.91 NR4A2 (0.55) NR4A2MRGPRX4RXRARXRBRXRG
SCHEMBL6275567 0.89 MAOA (0.44) NR4A2MRGPRX4RXRARXRBRXRG
SCHEMBL6279313 0.88 THRA (0.52) NR4A2MRGPRX4RXRARXRBRXRG
SCHEMBL6275961 0.88 KDM5A (0.40) NR4A2MRGPRX4RXRARXRBRXRG
SCHEMBL6275621 0.87 NR4A2 (0.41) NR4A2MRGPRX4RXRARXRBRXRG
SCHEMBL6274687 0.87 MRGPRX4 (0.51) NR4A2MRGPRX4RXRARXRBRXRG
SCHEMBL6268755 0.87 THRA (0.46) NR4A2MRGPRX4RXRARXRBRXRG
SCHEMBL6273400 0.87 THRA (0.51) NR4A2MRGPRX4RXRARXRBRXRG
SCHEMBL6272586 0.86 PTGER1 (0.45) NR4A2KDM5AKDM4CKDM5B
SCHEMBL6274608 0.86 NR4A2 (0.46) NR4A2MRGPRX4RXRARXRBKDM5A

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-2005116010-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK FROSST CANADA LTD. (CA) 2005-12-08 WO claimed