SCHEMBL9854932

SCHEMBL9854932

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.43
PLAU P00749 1/20 0.43
NR5A1 Q13285 8/20 0.37
KDM4E B2RXH2 3/20 0.37
RORA P35398 3/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 3/20 0.34
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 3/20 0.34
RAB9A P51151 1/20 0.33
S1PR1 P21453 1/20 0.32
HPGD P15428 2/20 0.32
PTPN7 P35236 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 1/20 0.32
PTGS2 P35354 1/20 0.32

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 0.89 KMT2A (0.39) ALDH1A1GAALMNATP53SMN1; SMN2
SCHEMBL9854839 0.88 LMNA (0.33) F9PLAUNR5A1KDM4ERORA
SCHEMBL9811757 0.85 F9 (0.41) F9PLAUNR5A1KDM4ERORA
SCHEMBL9710756 0.82 F9 (0.41) F9PLAUNR5A1KDM4ERORA
SCHEMBL9854882 0.78 F9 (0.43) F9PLAUNPSR1
SCHEMBL9313708 0.78 F9 (0.43) F9PLAUNPSR1
SCHEMBL9313692 0.77 HSD17B1 (0.36) KDM4EGAASMN1; SMN2MAPTNPSR1
SCHEMBL9571177 0.76 HPGD (0.46) F9PLAUALDH1A1LMNAMAPT
SCHEMBL9854821 0.75 F9 (0.40) F9PLAULMNASMN1; SMN2
SCHEMBL9811785 0.74 P2RX7 (0.34) F9PLAUNR5A1KDM4ERORA

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