SCHEMBL7085894

SCHEMBL7085894

O=C(O)Cc1cccc2c1OC(=O)CC2c1ccco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.38
HPGD P15428 4/20 0.37
ADORA2B P29275 1/20 0.37
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 4/20 0.35
POLB P06746 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
APOBEC3A P31941 1/20 0.34
RECQL P46063 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL7088752 0.81 HSD17B10 (0.38) HSD17B10HPGDADORA2BMAPK1TDP1
SCHEMBL7087213 0.78 AKR1B1 (0.37) HSD17B10HPGDTDP1MAPTKMT2A
SCHEMBL7086096 0.77 HPGD (0.41) HSD17B10HPGDTDP1MAPTKMT2A
SCHEMBL7089716 0.75 AKR1B1 (0.34) HPGDTDP1MAPTDUSP3PTPN5
SCHEMBL7083182 0.73 PTGDR2 (0.33) TDP1MAPTGAAKDM4ECYP1A2
SCHEMBL7086053 0.71 L3MBTL1 (0.36) HSD17B10HPGDTDP1POLBMAPT
SCHEMBL4649113 0.69 AKR1B1 (0.50) TDP1POLBMAPTKMT2AL3MBTL1
SCHEMBL11701645 0.66 BRD4 (0.44) TDP1AKR1B1
SCHEMBL7081707 0.62 AKR1B1 (0.37) HPGDTDP1CYP2C9CYP2C19DUSP3
SCHEMBL7082800 0.62 AKR1B1 (0.37) TDP1DUSP3PTPN5PTPN11CTDSP1

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