SCHEMBL7085863

SCHEMBL7085863

CC(=O)Oc1ccc(-c2c(CBr)oc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
MAPT P10636 6/20 0.54
HSD17B10 Q99714 5/20 0.54
CYP3A4 P08684 4/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 1/20 0.54
RAB9A P51151 1/20 0.53
ADORA3 P0DMS8 2/20 0.53
CASP1 P29466 3/20 0.52
CASP7 P55210 3/20 0.52
MAPK1 P28482 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALOX12 P18054 1/20 0.52
TP53 P04637 2/20 0.52
GLA P06280 3/20 0.51
GAA P10253 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL7087469 0.95 KDM4E (0.62) KDM4EMAPTHSD17B10CYP3A4ALDH1A1
SCHEMBL10472254 0.84 KDM4E (0.72) KDM4EMAPTHSD17B10CYP3A4ALDH1A1
SCHEMBL10471694 0.79 KDM4E (0.68) KDM4EMAPTHSD17B10CYP3A4ALDH1A1
Kaempferol Tetraacetate SCHEMBL10379364 0.77 ADORA3 (0.84) KDM4EMAPTHSD17B10CYP3A4ALDH1A1
SCHEMBL11550658 0.76 ADORA3 (0.68) KDM4EMAPTHSD17B10CYP3A4ALDH1A1
SCHEMBL9019345 0.75 ADORA3 (0.58) KDM4EMAPTHSD17B10CYP3A4ALDH1A1
Apigenin Triacetate SCHEMBL1676023 0.75 KDM4E (0.88) KDM4EMAPTHSD17B10CYP3A4ALDH1A1
SCHEMBL8582223 0.74 MAPT (0.66) KDM4EMAPTHSD17B10CYP3A4ALDH1A1
SCHEMBL2072196 0.73 KDM4E (0.89) KDM4EMAPTHSD17B10CYP3A4ALDH1A1
SCHEMBL7619499 0.72 KDM4E (0.60) KDM4EMAPTHSD17B10CYP3A4ALDH1A1

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
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
US-20020143062-A1 Method to incorporate N-(4-hydroxyphenyl) retinamide in liposomes BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-10-03 US 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
US-4960908-A ANTIBODY INHIBITOR AND ANTICARCINOGENIC AGENT YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-10-02 US disclosed
US-4841077-A Isoflavone derivatives, and salts thereof, and cancerocidal and immunosuppressive agents containing the same YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1989-06-20 US disclosed