SCHEMBL8612150

SCHEMBL8612150

Fc1cccc(-c2ccc(-c3ccc(OCc4ccccc4)cc3F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 1/20 0.53
GSTP1 P09211 2/20 0.51
FFAR1 O14842 4/20 0.49
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
PPARD Q03181 3/20 0.47
MAOB P27338 7/20 0.47
F10 P00742 1/20 0.47
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NR4A2 P43354 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
SCHEMBL8616956 0.93 FFAR1 (0.48) GPR34GSTP1FFAR1S1PR1S1PR3
SCHEMBL8612458 0.93 GSTP1 (0.55) GPR34GSTP1FFAR1MAOBF10
SCHEMBL8614234 0.93 GPR34 (0.51) GPR34GSTP1FFAR1MRGPRX4PPARD
SCHEMBL8612221 0.93 MAOB (0.50) GPR34FFAR1PPARDMAOBNR4A2
SCHEMBL8616528 0.92 GPR34 (0.55) GPR34GSTP1FFAR1MRGPRX4MAOB
SCHEMBL17443554 0.88 GSTP1 (0.56) GPR34GSTP1S1PR1S1PR3MRGPRX4
SCHEMBL8612285 0.87 GPR34 (0.63) GPR34GSTP1FFAR1MRGPRX4MAOB
SCHEMBL8616550 0.87 GPR34 (0.63) GPR34GSTP1FFAR1MRGPRX4MAOB
SCHEMBL8613886 0.86 FFAR1 (0.47) GPR34FFAR1PPARDMAOBNR4A2
SCHEMBL8613938 0.84 GSTP1 (0.52) GSTP1S1PR1S1PR3MRGPRX4MAOB

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