SCHEMBL8011012

SCHEMBL8011012

COc1ccc(C=CC(=O)OC(C)c2ccccc2)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
ALDH1A1 P00352 4/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
TNFRSF1A P19438 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HCAR2 Q8TDS4 1/20 0.53
CYP1A1 P04798 4/20 0.52
CYP1A2 P05177 4/20 0.52
CYP1B1 Q16678 3/20 0.52
LY96 Q9Y6Y9 1/20 0.52
MAPK1 P28482 2/20 0.51
HPGD P15428 3/20 0.51
KDM4E B2RXH2 2/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
CASP1 P29466 1/20 0.51

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
SCHEMBL8011005 0.79 NFE2L2 (0.60) MAPTMEN1KMT2AHCAR2CYP1A1
SCHEMBL8686650 0.79 MAPT (0.77) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7959387 0.79 MAPT (0.77) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29449851 0.77 MAPT (0.79) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL27892982 0.77 MAPT (0.79) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL79456 0.77 MAPT (0.79) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL79457 0.77 MAPT (0.79) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL887236 0.77 MAPT (0.54) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7188111 0.77 MAPT (1.00) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7188106 0.77 MAPT (1.00) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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
US-6066311-A ESTERIFICATION OF CHLOROGENIC ACID WITH AN ESTERIFYING ENZYME. CAFFEIC ACID AND ITS DERIVATIVES, PRODUCED BY THIS METHOD, MAY BE USED IN SUNSCREEN COMPOSITIONS, THE CAFFEIC ACID AND ITS DERIVATIVES ABSORBING BOTH UVA AND UVB LIGHT. ZYLEPSIS LIMITED (GB) 2000-05-23 US disclosed
EP-0764147-A1 PRODUCTION AND USES OF CAFFEIC ACID AND DERIVATIVES THEREOF ZYLEPSIS LIMITED (GB) 1997-03-26 EP disclosed
WO-1995033706-A1 PRODUCTION AND USES OF CAFFEIC ACID AND DERIVATIVES THEREOF ZYLEPSIS LIMITED (GB) 1995-12-14 WO disclosed