SCHEMBL8611289

SCHEMBL8611289

Fc1cccc(-c2ccc(-c3ccc(OCc4ccccc4)cc3)c(F)c2F)c1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.54
GRM5 P41594 1/20 0.49
FFAR1 O14842 2/20 0.47
MAOB P27338 3/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MAOA P21397 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
F10 P00742 1/20 0.44

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
SCHEMBL1462625 0.96 GSTP1 (0.58) GSTP1GRM5FFAR1MAOBLMNA
SCHEMBL8619308 0.94 GSTP1 (0.56) GSTP1GRM5FFAR1MAOBLMNA
SCHEMBL8612148 0.91 GSTP1 (0.54) GSTP1GRM5FFAR1MAOBLMNA
SCHEMBL8612975 0.89 GSTP1 (0.51) GSTP1GRM5FFAR1MAOBMAPT
SCHEMBL8612830 0.88 GSTP1 (0.50) GSTP1GRM5FFAR1MAOBLMNA
SCHEMBL8616573 0.86 KDM1A (0.46) GSTP1GRM5SLC6A2SLC6A3MAPT
SCHEMBL8613877 0.86 ALOX5 (0.51) GSTP1GRM5FFAR1MAOBMAOA
SCHEMBL8612218 0.85 FFAR1 (0.47) GSTP1GRM5FFAR1MAOBMAOA
SCHEMBL8616565 0.84 ALOX5 (0.53) GSTP1GRM5FFAR1MAOBMAOA
SCHEMBL8617314 0.84 FFAR1 (0.49) GSTP1GRM5FFAR1MAOBMAOA

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