SCHEMBL9854839

SCHEMBL9854839

CC(Oc1cccc2c(Oc3c(F)cc(C(F)(F)F)c(F)c3F)cccc12)C(=O)Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RORA P35398 1/20 0.32
NR5A1 Q13285 1/20 0.32
PPARG P37231 3/20 0.32
RAB9A P51151 1/20 0.32
F9 P00740 1/20 0.31
PLAU P00749 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
HPGD P15428 1/20 0.31
FFAR1 O14842 1/20 0.31
PTGS2 P35354 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30

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
SCHEMBL9315737 0.90 KMT2A (0.39) LMNAALDH1A1TP53SMN1; SMN2GAA
SCHEMBL9854932 0.88 F9 (0.43) LMNAALDH1A1TP53SMN1; SMN2GAA
SCHEMBL9313711 0.85 CCR1 (0.38) LMNAALDH1A1TP53SMN1; SMN2GAA
SCHEMBL9811785 0.85 P2RX7 (0.34) ALDH1A1NPSR1KDM4ENPC1RORA
SCHEMBL9711023 0.82 CYP2D6 (0.33) LMNAALDH1A1TP53SMN1; SMN2GAA
SCHEMBL9645514 0.82 HPGD (0.39) PPARGHPGD
SCHEMBL9313717 0.78 PTGDR2 (0.41) NPSR1
SCHEMBL9313692 0.78 HSD17B1 (0.36) SMN1; SMN2GAANPSR1KDM4EHPGD
SCHEMBL9644433 0.77 KMT2A (0.37) ALDH1A1KDM4EPPARGHPGDP2RX7
SCHEMBL9571196 0.75 HPGD (0.49) LMNAALDH1A1SMN1; SMN2PPARGRAB9A

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
EP-0453842-A2 Fluor subsituted derivatives of alpha-(5-aryloxy-naphthalen-1-yloxy)propionic acid BAYER AG (DE) 1991-10-30 EP disclosed