Rosmarinic Acid

Rosmarinic Acid

SCHEMBL18893645

O=C(/C=C/c1ccc(O)c(O)c1)OC(Cc1ccc(O)c(O)c1)C(=O)O.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.62
▸ MAPT P10636 6/20 0.62
▸ TDP1 Q9NUW8 5/20 0.62
▸ HSD17B10 Q99714 5/20 0.62
▸ AKR1B1 P15121 5/20 0.62
▸ CYP1A2 P05177 5/20 0.62
▸ HPGD P15428 4/20 0.62
▸ POLB P06746 4/20 0.62
▸ GAA P10253 4/20 0.62
▸ RECQL P46063 4/20 0.62
▸ MMP1 P03956 4/20 0.62
▸ APP P05067 4/20 0.62
▸ LCK P06239 3/20 0.62
▸ SRC P12931 3/20 0.62
▸ HSD17B2 P37059 3/20 0.62
▸ USP2 O75604 3/20 0.62
▸ KDM1A O60341 2/20 0.62
▸ THRB P10828 2/20 0.62
▸ APEX1 P27695 2/20 0.62
▸ SNCA P37840 2/20 0.62

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
Kaempferol SCHEMBL5090719 0.82 MEN1 (0.67) KDM4EMAPTTDP1HSD17B10AKR1B1
SCHEMBL29405619 0.79 TDP1 (0.86) KDM4EMAPTTDP1HSD17B10AKR1B1
Clinopodic Acid A SCHEMBL31488556 0.79 MMP1 (0.86) KDM4EMAPTTDP1HSD17B10AKR1B1
Rosmarinic Acid SCHEMBL15263386 0.79 TDP1 (1.00) KDM4EMAPTTDP1HSD17B10AKR1B1
Rosmarinic Acid SCHEMBL7458453 0.79 TDP1 (1.00) KDM4EMAPTTDP1HSD17B10AKR1B1
Rosmarinic Acid SCHEMBL29453379 0.79 TDP1 (1.00) KDM4EMAPTTDP1HSD17B10AKR1B1
Rosmarinic Acid SCHEMBL19348 0.79 TDP1 (1.00) KDM4EMAPTTDP1HSD17B10AKR1B1
Rosmarinic Acid SCHEMBL15263387 0.79 TDP1 (1.00) KDM4EMAPTTDP1HSD17B10AKR1B1
Rosmarinic Acid SCHEMBL1650675 0.79 TDP1 (1.00) KDM4EMAPTTDP1HSD17B10AKR1B1
Rosmarinic Acid SCHEMBL29371115 0.79 TDP1 (1.00) KDM4EMAPTTDP1HSD17B10AKR1B1

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-3380495-A1 PEPTIDE COMPOUNDS AND PEPTIDE CONJUGATES FOR THE TREATMENT OF CANCER THROUGH RECEPTOR-MEDIATED CHEMOTHERAPY Transfert Plus, S.E.C. (CA) 2018-10-03 — — EP disclosed
WO-2017088058-A1 PEPTIDE COMPOUNDS AND PEPTIDE CONJUGATES FOR THE TREATMENT OF CANCER THROUGH RECEPTOR-MEDIATED CHEMOTHERAPY TRANSFERT PLUS, S.E.C. (CA) 2017-06-01 — — WO disclosed
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