SCHEMBL12659858

SCHEMBL12659858

O=C(I)CCc1ccc(O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.56
▸ ESR2 Q92731 2/20 0.56
▸ KDM4E B2RXH2 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ CYP19A1 P11511 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ SLC16A3 O15427 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ TTR P02766 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53

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
SCHEMBL27383213 0.82 FFAR1 (0.43) ALDH1A1CA2
SCHEMBL8108885 0.81 ESR1 (0.62) ESR1ESR2KDM4EKMT2ACYP19A1
SCHEMBL27383079 0.80 FFAR1 (0.55) GAALMNASLC5A1HPGDSLC5A2
SCHEMBL24967272 0.79 FFAR1 (0.46) KMT2ATDP1MEN1LMNASLC5A1
Hydroxyphenyl Propionic Acid SCHEMBL35486 0.79 FFAR1 (0.68) ESR1ESR2KDM4EKMT2ACYP19A1
SCHEMBL12174587 0.79 KEAP1 (0.67) ALDH1A1TDP1HDAC2HDAC8MAPT
Hydroxyphenyl Propionic Acid SCHEMBL5606896 0.77 FFAR1 (0.65) ESR1ESR2KDM4EKMT2ACYP19A1
SCHEMBL21769205 0.77 ESR1 (0.56) ESR1ESR2KDM4EKMT2ACYP19A1
SCHEMBL21768805 0.77 ESR1 (0.56) ESR1ESR2KDM4EKMT2ACYP19A1
Raspberryketone SCHEMBL43308 0.77 ALDH1A1 (0.65) ESR1ESR2KDM4EKMT2ACYP19A1

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
WO-2023072971-A2 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2023-05-04 — — WO disclosed
EP-1977655-B1 Aroma compositions of alkamides with hesperetin and/or 4-hydroxydihydrochalkones and their salts for reinforcing sweet sensory impressions SYMRISE AG (DE) 2011-05-18 — — EP disclosed
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