SCHEMBL8613295

SCHEMBL8613295

Fc1cccc(-c2ccc(-c3ccc(OCc4ccccc4)c(F)c3)c(F)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.51
FEN1 P39748 1/20 0.47
ERN1 O75460 1/20 0.47
CTSA P10619 1/20 0.47
FFAR1 O14842 7/20 0.45
PPARD Q03181 4/20 0.45
S1PR5 Q9H228 1/20 0.43
GPR34 Q9UPC5 1/20 0.43
SLK Q9H2G2 1/20 0.42
PTGER1 P34995 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
USP2 O75604 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL8617905 1.00 C5AR1 (0.51) C5AR1FEN1ERN1CTSAFFAR1
SCHEMBL8612029 0.93 ERN1 (0.52) C5AR1ERN1CTSAFFAR1PPARD
SCHEMBL8613876 0.92 ERN1 (0.51) C5AR1ERN1CTSAFFAR1PPARD
SCHEMBL8611932 0.90 C5AR1 (0.49) C5AR1FEN1FFAR1PPARDGPR34
SCHEMBL8616528 0.87 GPR34 (0.55) FFAR1GPR34TAAR1
SCHEMBL8612458 0.85 GSTP1 (0.55) FFAR1GPR34
SCHEMBL8616956 0.85 FFAR1 (0.48) FFAR1PPARDGPR34
SCHEMBL8613036 0.84 ERN1 (0.47) FEN1ERN1CTSAFFAR1PPARD
SCHEMBL8612514 0.84 ERN1 (0.47) FEN1ERN1CTSAFFAR1PPARD
SCHEMBL8612495 0.84 FEN1 (0.47) FEN1ERN1CTSAFFAR1PPARD

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