SCHEMBL7164445

SCHEMBL7164445

CC(C(=O)O)c1cccc2c1OC(=O)CC2c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
ALDH2 P05091 1/20 0.49
HPGD P15428 3/20 0.48
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CTRC Q99895 1/20 0.45
TP53 P04637 1/20 0.42
MAPT P10636 3/20 0.41
RECQL P46063 1/20 0.40
MEN1 O00255 2/20 0.39
THRB P10828 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.38
CTRB1 P17538 1/20 0.37

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
SCHEMBL880298 0.71 ALDH1A1 (0.51) ALDH1A1ALDH2HPGDGAAHSD17B10
SCHEMBL11320648 0.71 KIF11 (0.35) ALDH1A1ALDH2MEN1KMT2A
SCHEMBL14852665 0.70 ALDH1A1 (0.68) ALDH1A1ALDH2HPGDGAAHSD17B10
SCHEMBL12200316 0.70 ALDH1A1 (0.68) ALDH1A1ALDH2HPGDGAAHSD17B10
SCHEMBL12200287 0.70 ALDH1A1 (0.68) ALDH1A1ALDH2HPGDGAAHSD17B10
SCHEMBL9223130 0.70 ALDH1A1 (0.68) ALDH1A1ALDH2HPGDGAAHSD17B10
SCHEMBL28940452 0.68 MAPT (0.47) ALDH1A1ALDH2HPGDMAPTRECQL
SCHEMBL27711708 0.68 CXCL8 (0.43) ALDH1A1HPGDHSD17B10MAPTRECQL
SCHEMBL21784784 0.67 MMP2 (0.42) ALDH1A1HPGDHSD17B10MAPTRECQL
SCHEMBL28832579 0.66 CTRC (0.54) ALDH1A1ALDH2HPGDGAAHSD17B10

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