SCHEMBL1706332

SCHEMBL1706332

O=C(O)CCc1ccc(OC(=O)CCc2ccc(O)c(O)c2)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.61
YWHAG P61981 1/20 0.50
IAPP P10997 3/20 0.49
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
RGS12 O14924 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
APEX1 P27695 1/20 0.47
THPO P40225 1/20 0.47
BLM P54132 1/20 0.47
GNAI1 P63096 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
Dihydrocaffeic Acid SCHEMBL7058919 0.84 IAPP (0.65) APPIAPPGAAKDM4ERGS12
Dihydrocaffeic Acid SCHEMBL29351390 0.84 IAPP (0.65) APPIAPPGAAKDM4ERGS12
Dihydrocaffeic Acid SCHEMBL245530 0.84 IAPP (0.65) APPIAPPGAAKDM4ERGS12
SCHEMBL175651 0.79 APP (0.57) APPYWHAGIAPPGAAKDM4E
SCHEMBL15391990 0.79 GAA (0.69) APPYWHAGGAAKDM4ERGS12
SCHEMBL10117441 0.79 MAPT (0.51) APPGAAKDM4ELMNAMAPT
SCHEMBL490726 0.78 GAA (0.71) GAALMNATSHRNFKB1APEX1
SCHEMBL31337638 0.78 GAA (0.71) GAALMNATSHRNFKB1APEX1
SCHEMBL29116446 0.78 APP (0.64) APPYWHAGIAPPGAAKDM4E
Dihydrocaffeic Acid SCHEMBL31017610 0.78 IAPP (0.57) APPIAPPGAAKDM4ERGS12

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-2027279-B1 Phenolic compounds with cosmetic and therapeutic applications LIBRAGEN (FR) 2012-04-18 EP disclosed
EP-1113790-B1 USE OF A CINNAMIC ACID DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR PREVENTING OR TREATING ELEVATED BLOOD LIPID LEVEL-RELATED DISEASES KOREA RES INST OF BIOSCIENCE (KR) 2004-04-21 EP disclosed