Caffeic Acid

Caffeic Acid

SCHEMBL7790618

COc1ccc(CC(Cc2ccc(O)c(O)c2)C(=O)O)cc1.O=C(O)C=Cc1ccc(O)c(O)c1

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
MMP1 P03956 5/20 0.56
MAPT P10636 4/20 0.56
TDP1 Q9NUW8 4/20 0.56
HSD17B10 Q99714 4/20 0.56
POLB P06746 3/20 0.56
GAA P10253 3/20 0.56
HPGD P15428 3/20 0.56
THRB P10828 3/20 0.56
APP P05067 3/20 0.56
RECQL P46063 2/20 0.56
TTR P02766 2/20 0.56
AKR1B1 P15121 2/20 0.56
APEX1 P27695 2/20 0.56
PKM P14618 2/20 0.56
SNCA P37840 2/20 0.56
CYP1A2 P05177 1/20 0.56
KDM1A O60341 1/20 0.56
USP2 O75604 1/20 0.56
JUN P05412 1/20 0.56

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
SCHEMBL3735872 0.87 LDHA (0.59) KDM4EMAPTTDP1HSD17B10POLB
SCHEMBL30925684 0.79 MMP1 (0.60) MMP1MMP2MMP9CA2PTPN1
Caffeic Acid SCHEMBL28575890 0.76 KDM4E (0.86) KDM4EMMP1MAPTTDP1HSD17B10
SCHEMBL10436394 0.76 LDHA (0.76) POLBCYP1A2KMT2A
Rosmarinic Acid SCHEMBL22362628 0.76 TDP1 (0.93) KDM4EMMP1MAPTTDP1HSD17B10
Caffeic Acid SCHEMBL27469970 0.73 KDM4E (0.69) KDM4EMMP1MAPTTDP1HSD17B10
Tyrosine SCHEMBL25429180 0.73 KDM4E (0.60) KDM4EMMP1MAPTTDP1HSD17B10
SCHEMBL16382871 0.73 MMP1 (0.70) KDM4EMMP1THRBAPPMMP2
Tyrosine SCHEMBL25429176 0.73 KDM4E (0.60) KDM4EMMP1MAPTTDP1HSD17B10
Caffeic Acid SCHEMBL7064846 0.73 KDM4E (1.00) KDM4EMMP1MAPTTDP1HSD17B10

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-1150956-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2001-11-07 EP disclosed
WO-2000047561-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2000-08-17 WO disclosed