SCHEMBL8612458

SCHEMBL8612458

Fc1cccc(-c2ccc(-c3ccc(OCc4ccccc4)cc3)c(F)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.55
GPR34 Q9UPC5 1/20 0.54
FFAR1 O14842 4/20 0.53
MAOB P27338 7/20 0.50
NR4A2 P43354 1/20 0.49
FFAR4 Q5NUL3 2/20 0.46
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGES O14684 1/20 0.45
F10 P00742 1/20 0.45
PARP10 Q53GL7 1/20 0.45

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
SCHEMBL8616528 0.96 GPR34 (0.55) GSTP1GPR34FFAR1MAOBNR4A2
SCHEMBL8612150 0.93 GPR34 (0.53) GSTP1GPR34FFAR1MAOBNR4A2
SCHEMBL8616956 0.92 FFAR1 (0.48) GSTP1GPR34FFAR1MAOBNR4A2
SCHEMBL8614234 0.92 GPR34 (0.51) GSTP1GPR34FFAR1MAOBNR4A2
SCHEMBL8612221 0.89 MAOB (0.50) GPR34FFAR1MAOBNR4A2
SCHEMBL8612285 0.89 GPR34 (0.63) GSTP1GPR34FFAR1MAOBNR4A2
SCHEMBL8616550 0.89 GPR34 (0.63) GSTP1GPR34FFAR1MAOBNR4A2
SCHEMBL8616159 0.88 GSTP1 (0.56) GSTP1GPR34FFAR1MAOBNR4A2
SCHEMBL8617905 0.85 C5AR1 (0.51) GPR34FFAR1
SCHEMBL8613295 0.85 C5AR1 (0.51) GPR34FFAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665836-B1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AG (DE) 1998-04-29 EP disclosed
WO-1994010152-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-11 WO disclosed