SCHEMBL20215166

SCHEMBL20215166

Cc1cc(CO)cc(-c2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.52
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
NR4A2 P43354 2/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
MAOB P27338 6/20 0.50
SYK P43405 1/20 0.50
ERN1 O75460 1/20 0.50
PTGER4 P35408 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DHODH Q02127 2/20 0.48
FFAR4 Q5NUL3 1/20 0.48
FFAR1 O14842 1/20 0.48

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
SCHEMBL17954331 0.91 NR4A2 (0.48) KDRCYP4F2CYP4A11NR4A2MRGPRX4
SCHEMBL17954221 0.86 CYP4F2 (0.51) KDRCYP4F2CYP4A11NR4A2MRGPRX4
SCHEMBL12635690 0.84 MAOB (0.60) CYP4F2CYP4A11NR4A2MRGPRX4MAOB
SCHEMBL3683352 0.81 MRGPRX4 (0.61) CYP4F2CYP4A11NR4A2MRGPRX4MAOB
SCHEMBL9454030 0.81 GRM5 (0.54) KDRCYP4F2CYP4A11MAOBTSHR
SCHEMBL379281 0.81 MAOB (0.67) CYP4F2CYP4A11NR4A2MRGPRX4MAOB
SCHEMBL20215165 0.80 FFAR1 (0.54) NR4A2MRGPRX4MAOBSYKERN1
SCHEMBL2137838 0.79 MRGPRX4 (0.69) CYP4F2CYP4A11NR4A2MRGPRX4MAOB
SCHEMBL20215168 0.79 IDH1 (0.46) KDRTSHRDHODH
SCHEMBL20799468 0.79 TSHR (0.50) CYP4F2CYP4A11NR4A2MRGPRX4ERN1

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-9988627-B2 Formats for organic compounds for use in RNA interference NOVARTIS AG (CH) 2018-06-05 US disclosed