SCHEMBL8612285

SCHEMBL8612285

Fc1cccc(-c2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 1/20 0.63
FFAR1 O14842 2/20 0.60
MAOB P27338 7/20 0.58
GSTP1 P09211 2/20 0.56
NR4A2 P43354 1/20 0.56
MCL1 Q07820 1/20 0.54
TAAR1 Q96RJ0 1/20 0.53
AKR1B1 P15121 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.52
PTGER4 P35408 1/20 0.52
PTGER3 P43115 1/20 0.52
ESR2 Q92731 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51

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
SCHEMBL8616550 1.00 GPR34 (0.63) GPR34FFAR1MAOBGSTP1NR4A2
SCHEMBL8616528 0.90 GPR34 (0.55) GPR34FFAR1MAOBGSTP1NR4A2
SCHEMBL8612458 0.89 GSTP1 (0.55) GPR34FFAR1MAOBGSTP1NR4A2
SCHEMBL26830356 0.89 MAOB (0.58) GPR34FFAR1MAOBNR4A2FFAR4
SCHEMBL8612150 0.87 GPR34 (0.53) GPR34FFAR1MAOBGSTP1NR4A2
SCHEMBL8616159 0.87 GSTP1 (0.56) GPR34FFAR1MAOBGSTP1NR4A2
SCHEMBL8614234 0.86 GPR34 (0.51) GPR34FFAR1MAOBGSTP1NR4A2
SCHEMBL16346074 0.85 GSTP1 (0.66) FFAR1MAOBGSTP1NR4A2MCL1
SCHEMBL23483029 0.84 LMNA (0.69) FFAR1MAOBGSTP1NR4A2MCL1
SCHEMBL1096817 0.84 LMNA (0.69) FFAR1MAOBGSTP1NR4A2MCL1

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