SCHEMBL8616951

SCHEMBL8616951

Fc1cc(-c2ccc(-c3ccc(OCc4ccccc4)cc3)c(F)c2F)ccc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.54
PTGES O14684 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PTPN1 P18031 2/20 0.42
MAOB P27338 3/20 0.42
FFAR1 O14842 1/20 0.42
MCL1 Q07820 1/20 0.42
MAOA P21397 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8616606 0.92 GSTP1 (0.51) GSTP1PTGESLMNACYP1A2PTGS1
SCHEMBL8616555 0.91 ALOX5 (0.44) GSTP1MAOBFFAR1MCL1MAOA
SCHEMBL8616187 0.91 GSTP1 (0.55) GSTP1PTGESLMNACYP1A2PTGS1
SCHEMBL8616652 0.90 GSTP1 (0.50) GSTP1PTGESLMNACYP1A2PTGS1
SCHEMBL8612967 0.89 GSTP1 (0.55) GSTP1PTGESLMNACYP1A2PTGS1
SCHEMBL8618479 0.88 GSTP1 (0.48) GSTP1MAOBFFAR1MAOATOP1
SCHEMBL8613875 0.88 GSTP1 (0.48) GSTP1MAOBFFAR1MAOATOP1
SCHEMBL8613858 0.88 GSTP1 (0.54) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL8614632 0.88 GSTP1 (0.54) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL8616319 0.88 GSTP1 (0.53) GSTP1LMNACYP1A2PTGS1SLC6A2

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