SCHEMBL8612495

SCHEMBL8612495

Fc1cc(-c2ccc(-c3cccc(F)c3F)cc2F)ccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.47
FFAR1 O14842 4/20 0.45
ERN1 O75460 1/20 0.45
MRGPRX4 Q96LA9 3/20 0.44
KDM1A O60341 3/20 0.43
S1PR5 Q9H228 1/20 0.43
PPARD Q03181 1/20 0.43
CTSA P10619 1/20 0.42
PTGER1 P34995 3/20 0.41
MCL1 Q07820 1/20 0.41
MPO P05164 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 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
SCHEMBL8619306 0.96 ERN1 (0.47) FEN1FFAR1ERN1MRGPRX4KDM1A
SCHEMBL8616588 0.92 ERN1 (0.47) FEN1FFAR1ERN1MRGPRX4KDM1A
SCHEMBL8612994 0.91 ERN1 (0.48) FFAR1ERN1MRGPRX4KDM1AS1PR5
SCHEMBL8614212 0.90 FEN1 (0.43) FEN1FFAR1ERN1MRGPRX4KDM1A
SCHEMBL8612148 0.87 GSTP1 (0.54) FEN1FFAR1PTGER4PTGER3
SCHEMBL8616573 0.85 KDM1A (0.46) MRGPRX4KDM1APTGER1MCL1PTGER4
SCHEMBL8617345 0.85 FEN1 (0.43) FEN1FFAR1ERN1MRGPRX4KDM1A
SCHEMBL8613295 0.84 C5AR1 (0.51) FEN1FFAR1ERN1S1PR5PPARD
SCHEMBL8617905 0.84 C5AR1 (0.51) FEN1FFAR1ERN1S1PR5PPARD
SCHEMBL8612218 0.84 FFAR1 (0.47) FFAR1PPARDPTGER4PTGER3

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 3 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
EP-0665836-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-09 EP disclosed
WO-1994010152-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-11 WO disclosed