SCHEMBL8613876

SCHEMBL8613876

Fc1cccc(-c2ccc(-c3ccc(OCc4ccccc4)c(F)c3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.51
CTSA P10619 1/20 0.50
C5AR1 P21730 1/20 0.49
TAAR1 Q96RJ0 2/20 0.49
GPR34 Q9UPC5 1/20 0.48
FFAR1 O14842 6/20 0.48
PPARD Q03181 3/20 0.48
ESR2 Q92731 1/20 0.47
MRGPRX4 Q96LA9 4/20 0.46
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AGXT P21549 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
SCHEMBL8612029 0.98 ERN1 (0.52) ERN1CTSAC5AR1TAAR1GPR34
SCHEMBL8617905 0.92 C5AR1 (0.51) ERN1CTSAC5AR1TAAR1GPR34
SCHEMBL8613295 0.92 C5AR1 (0.51) ERN1CTSAC5AR1TAAR1GPR34
SCHEMBL8619252 0.85 ERN1 (0.53) ERN1CTSAFFAR1PPARD
SCHEMBL21162496 0.85 ERN1 (0.59) ERN1CTSAFFAR1PPARDMRGPRX4
SCHEMBL8617145 0.85 ERN1 (0.53) ERN1CTSAFFAR1PPARD
SCHEMBL10093047 0.84 ERN1 (0.55) ERN1CTSAFFAR1PPARDMRGPRX4
SCHEMBL8614552 0.83 C5AR1 (0.48) C5AR1TAAR1GPR34FFAR1ESR2
SCHEMBL8616550 0.83 GPR34 (0.63) TAAR1GPR34FFAR1ESR2MRGPRX4
SCHEMBL8612285 0.83 GPR34 (0.63) TAAR1GPR34FFAR1ESR2MRGPRX4

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