SCHEMBL8612828

SCHEMBL8612828

Fc1cccc(-c2ccc(-c3ccc(OCc4ccccc4)c(F)c3F)c(F)c2F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.53
PTGER2 P43116 4/20 0.44
PTGER1 P34995 6/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
LMNA P02545 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
PTGER4 P35408 2/20 0.42
PTGER3 P43115 2/20 0.42
LRRK2 Q5S007 1/20 0.42
MPO P05164 1/20 0.42
CYP2C9 P11712 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPK14 Q16539 1/20 0.40

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 0.99 C5AR1 (0.54) C5AR1PTGER2PTGER1L3MBTL1LMNA
SCHEMBL8611932 0.92 C5AR1 (0.49) C5AR1PTGER2PTGER1L3MBTL1LMNA
SCHEMBL8614552 0.92 C5AR1 (0.48) C5AR1PTGER2PTGER1L3MBTL1LMNA
SCHEMBL8616159 0.83 GSTP1 (0.56) PTGER4PTGER3
SCHEMBL8613886 0.83 FFAR1 (0.47)
SCHEMBL8614212 0.82 FEN1 (0.43) PTGER2PTGER1MRGPRX4PTGER4PTGER3
SCHEMBL8613295 0.81 C5AR1 (0.51) C5AR1PTGER1L3MBTL1LMNATDP1
SCHEMBL8617905 0.81 C5AR1 (0.51) C5AR1PTGER1L3MBTL1LMNATDP1
SCHEMBL6896479 0.81 FGFR1 (0.47) PTGER2L3MBTL1CYP2C9TDP1
SCHEMBL8612028 0.80 FEN1 (0.40) PTGER1MRGPRX4

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