SCHEMBL7112888

SCHEMBL7112888

O=C(CO)OC(=Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
AKR1C3 P42330 1/20 0.44
AKR1C1 Q04828 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RECQL P46063 1/20 0.39
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
NR1I2 O75469 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
TSHR P16473 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
LMNA P02545 1/20 0.36
PAM P19021 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL5072599 0.84 LMNA (0.45) CYP3A4CYP2C9AKR1C3AKR1C1MEN1
SCHEMBL9355303 0.78 AKR1C3 (0.57) CYP3A4CYP2C9AKR1C3AKR1C1MEN1
SCHEMBL3619315 0.78 AKR1C3 (0.57) CYP3A4CYP2C9AKR1C3AKR1C1MEN1
SCHEMBL3881261 0.78 AKR1C3 (0.57) CYP3A4CYP2C9AKR1C3AKR1C1MEN1
SCHEMBL528920 0.78 MEN1 (0.49) CYP3A4CYP2C9AKR1C3AKR1C1MEN1
SCHEMBL28181477 0.77 TDP1 (0.58) MEN1KMT2ARECQLLMNAPAM
SCHEMBL11683148 0.75 MEN1 (0.46) CYP3A4CYP2C9AKR1C3AKR1C1MEN1
SCHEMBL213888 0.75 AKR1C3 (0.44) CYP3A4CYP2C9AKR1C3AKR1C1MEN1
SCHEMBL2554162 0.75 AKR1C3 (0.52) CYP3A4CYP2C9AKR1C3AKR1C1MEN1
SCHEMBL6553166 0.75 AKR1C3 (0.52) CYP3A4CYP2C9AKR1C3AKR1C1MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4270298-A None JP disclosed
EP-0933378-B1 Quinolinone glycoside, production process, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2003-04-09 EP disclosed
US-6242425-B1 SINAPIC ACID GLYCOSIDE INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-05 US disclosed
EP-0933378-A1 Quinolinone glycoside, production process, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-04 EP disclosed
JP-H04270298-A GLYCOCINNAMIC ACID DERIVATIVE AND ULTRAVIOLET LIGHT ABSORBER SHISEIDO CO LTD 1992-09-25 JP disclosed