SCHEMBL8611932

SCHEMBL8611932

Fc1cccc(-c2ccc(-c3ccc(OCc4ccccc4)c(F)c3F)cc2F)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
FEN1 P39748 2/20 0.46
PTGER2 P43116 5/20 0.43
PTGER1 P34995 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
USP2 O75604 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
LRRK2 Q5S007 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
FFAR1 O14842 1/20 0.39
PPARD Q03181 1/20 0.39
GPR34 Q9UPC5 1/20 0.39
KDM1A O60341 2/20 0.39

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
SCHEMBL8614926 0.94 C5AR1 (0.54) C5AR1PTGER2PTGER1L3MBTL1USP2
SCHEMBL8612828 0.92 C5AR1 (0.53) C5AR1PTGER2PTGER1L3MBTL1USP2
SCHEMBL8614552 0.90 C5AR1 (0.48) C5AR1PTGER2PTGER1L3MBTL1LMNA
SCHEMBL8613295 0.90 C5AR1 (0.51) C5AR1FEN1PTGER1L3MBTL1USP2
SCHEMBL8617905 0.90 C5AR1 (0.51) C5AR1FEN1PTGER1L3MBTL1USP2
SCHEMBL8614212 0.85 FEN1 (0.43) FEN1PTGER2PTGER1MRGPRX4PTGER4
SCHEMBL8613452 0.85 FEN1 (0.43) FEN1PTGER1MRGPRX4KDM1A
SCHEMBL8616956 0.83 FFAR1 (0.48) FFAR1PPARDGPR34
SCHEMBL8612029 0.83 ERN1 (0.52) C5AR1PTGER2L3MBTL1LMNAMRGPRX4
SCHEMBL8613851 0.82 PTGER1 (0.44) FEN1PTGER1LMNALRRK2KDM1A

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