SCHEMBL7087461

SCHEMBL7087461

COC1c2cccc(CC(=O)O)c2OC(=O)C1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.35
ELANE P08246 1/20 0.35
ACHE P22303 1/20 0.35
AKR1B1 P15121 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BRD4 O60885 2/20 0.34
MMP2 P08253 2/20 0.34
MMP12 P39900 2/20 0.34
MMP9 P14780 1/20 0.34
EDNRB P24530 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
MMP16 P51512 1/20 0.33
PTGS2 P35354 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
DUSP3 P51452 1/20 0.32
PTPN5 P54829 1/20 0.32
PTPN11 Q06124 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32

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
SCHEMBL7085871 0.91 BRD4 (0.36) EDNRAELANEACHEAKR1B1TDP1
SCHEMBL7086242 0.84 MEN1 (0.39) SMN1; SMN2KDM4EMEN1CYP3A4KMT2A
SCHEMBL7089718 0.82 ALDH1A1 (0.30) HPGD
SCHEMBL7081707 0.81 AKR1B1 (0.37) EDNRAAKR1B1TDP1BRD4PTGS2
SCHEMBL7082800 0.79 AKR1B1 (0.37) EDNRAAKR1B1TDP1BRD4PTGS2
SCHEMBL7088888 0.79 EDNRA (0.39) EDNRAAKR1B1TDP1BRD4PTGS2
SCHEMBL7088025 0.75 AKR1B1 (0.34) EDNRAACHEAKR1B1TDP1BRD4
SCHEMBL7081795 0.74 ADAMTS5 (0.36) TDP1BRD4PTGS2MEN1KMT2A
SCHEMBL7083197 0.71 MMP2 (0.36) EDNRAAKR1B1TDP1MMP2MMP12
SCHEMBL10479325 0.69 GAA (0.40) EDNRASMN1; SMN2KDM4EMEN1CYP3A4

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-1328262-A2 A METHOD TO INCORPORATE N-(4-HYDROXYPHENYL) RETINAMIDE IN LIPOSOMES Board of Regents, The University of Texas System (US) 2003-07-23 EP disclosed
WO-2002032413-A2 A METHOD TO INCORPORATE N-(4-HYDROXYPHENYL) RETINAMIDE IN LIPOSOMES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-04-25 WO disclosed