SCHEMBL9119563

SCHEMBL9119563

COC(=O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.49
CCR1 P32246 1/20 0.48
CCR2 P41597 1/20 0.48
LMNA P02545 1/20 0.46
HTT P42858 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDM4E B2RXH2 3/20 0.44
HPGD P15428 1/20 0.44
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
TAS2R14 Q9NYV8 1/20 0.44
MAPT P10636 3/20 0.44
MRGPRX4 Q96LA9 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
CFTR P13569 1/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL9121605 0.84 CCR1 (0.55) RXFP1CCR1CCR2KDM4EHPGD
SCHEMBL9284831 0.83 CCR2 (0.57) RXFP1CCR1CCR2LMNAKDM4E
SCHEMBL9118404 0.81 RXFP1 (0.53) RXFP1CCR1CCR2LMNAHTT
SCHEMBL9122911 0.80 CCR1 (0.48) RXFP1CCR1CCR2LMNAHTT
SCHEMBL16302025 0.80 SCN8A (0.53) TAS2R14MAPTMRGPRX4TDP1CFTR
SCHEMBL30691780 0.80 HDAC1 (0.55) LMNAHTTHDAC1HDAC8HDAC6
SCHEMBL6808607 0.79 CCR1 (0.43) RXFP1CCR1CCR2LMNAHTT
SCHEMBL1365182 0.78 CFTR (0.64) RXFP1CCR1CCR2LMNAKDM4E
SCHEMBL9118380 0.77 GRIK1 (0.47) RXFP1CCR1CCR2LMNAHTT
SCHEMBL6808609 0.77 TAS2R14 (0.48) CCR1CCR2HTTKDM4EHPGD

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-1995033715-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed