SCHEMBL8617345

SCHEMBL8617345

Fc1cc(-c2ccc(-c3ccc(Br)c(F)c3F)cc2F)ccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.43
ERN1 O75460 1/20 0.43
S1PR5 Q9H228 1/20 0.41
FFAR1 O14842 2/20 0.39
PPARD Q03181 1/20 0.39
KDM1A O60341 4/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSA P10619 1/20 0.39
PRMT5 O14744 1/20 0.38
PTGER1 P34995 2/20 0.38
MCL1 Q07820 1/20 0.38
SLK Q9H2G2 1/20 0.37
GRM2 Q14416 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.37

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
SCHEMBL8615456 0.97 ERN1 (0.45) FEN1ERN1S1PR5FFAR1PPARD
SCHEMBL8617918 0.93 ERN1 (0.46) FEN1ERN1S1PR5FFAR1PPARD
SCHEMBL8613507 0.93 ERN1 (0.46) ERN1S1PR5FFAR1PPARDKDM1A
SCHEMBL8613734 0.91 FEN1 (0.41) FEN1ERN1S1PR5KDM1ARAB9A
SCHEMBL8613452 0.90 FEN1 (0.43) FEN1ERN1S1PR5KDM1ARAB9A
SCHEMBL8613036 0.90 ERN1 (0.47) FEN1ERN1S1PR5FFAR1PPARD
SCHEMBL8612514 0.90 ERN1 (0.47) FEN1ERN1S1PR5FFAR1PPARD
SCHEMBL8616606 0.88 GSTP1 (0.51) FEN1FFAR1RAB9ASMN1; SMN2MCL1
SCHEMBL8617922 0.87 KDM1A (0.40) FEN1ERN1S1PR5KDM1ARAB9A
SCHEMBL8612028 0.86 FEN1 (0.40) FEN1ERN1S1PR5KDM1ARAB9A

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