SCHEMBL7385248

SCHEMBL7385248

[CH]1C(OCc2ccccc2)=CCc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
PTGS1 P23219 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGS2 P35354 1/20 0.37
HIF1A Q16665 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TSHR P16473 1/20 0.36
MAOB P27338 4/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
MAOA P21397 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL1115535 0.81 ALDH1A1 (0.38) MAPTL3MBTL1RAB9AGAASMN1; SMN2
SCHEMBL4306921 0.77 HTR2C (0.33) TSHRMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL3858056 0.73 CA1 (0.38) PTGS2MAPT
SCHEMBL30629170 0.68 MAOA (0.44) SLC6A2SLC6A3LMNACYP1A2PTGS1
SCHEMBL4311972 0.66 CA1 (0.41)
SCHEMBL853163 0.63 CA1 (0.39) LMNAMAPTRAB9AGAANPC1
SCHEMBL11605666 0.63 MAPT (0.51) SLC6A2SLC6A3MAOBMAPTL3MBTL1
SCHEMBL30892449 0.63 MAPT (0.51) SLC6A2SLC6A3MAOBMAPTL3MBTL1
SCHEMBL1557213 0.63 TSHR (0.40) SLC6A2SLC6A3LMNACYP1A2PTGS1
SCHEMBL1755623 0.63 TSHR (0.40) SLC6A2SLC6A3LMNACYP1A2PTGS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP claimed
EP-1019046-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM (US) 2002-11-27 EP disclosed
EP-1019046-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-07-19 EP disclosed
WO-1998048799-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO disclosed
EP-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP disclosed