SCHEMBL7757602

SCHEMBL7757602

Cc1cc(C)cc(Oc2nc(OCc3ccccc3)nc(OCc3ccccc3)c2C(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MCL1 Q07820 1/20 0.39
BAK1 Q16611 1/20 0.39
ALOX5 P09917 1/20 0.38
DAPK1 P53355 1/20 0.38
GRM5 P41594 1/20 0.38
CYP26A1 O43174 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
STAT3 P40763 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL502073 0.89 MAOB (0.40) ALDH1A1LMNAHTTHPGDTSHR
SCHEMBL501318 0.89 MAOA (0.42) ALDH1A1LMNAHTTHPGDTSHR
SCHEMBL501894 0.87 RAB9A (0.38) ALDH1A1LMNAHTTHPGDTSHR
SCHEMBL501120 0.86 ALDH1A1 (0.34) ALDH1A1LMNAHTTHPGDTSHR
SCHEMBL501921 0.85 LMNA (0.40) ALDH1A1LMNAHTTHPGDTSHR
SCHEMBL7753957 0.81 L3MBTL1 (0.42) ALDH1A1LMNAHTTHPGDTSHR
SCHEMBL12752569 0.81 MAOB (0.40) ALDH1A1LMNAHTTHPGDTSHR
SCHEMBL501586 0.77 HPGD (0.48) ALDH1A1LMNAHTTHPGDTSHR
SCHEMBL501304 0.71 MAPK9 (0.36) ALDH1A1LMNAHTTHPGDTSHR
SCHEMBL1072784 0.70 GRM5 (0.62) LMNAMAPK1L3MBTL1ALOX5GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736015-B1 ANTIVIRAL 2,4-PYRIMIDINDIONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2001-03-07 EP disclosed
US-5747500-A VIRICIDES FOR AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1998-05-05 US disclosed
EP-0736015-A1 NOVEL ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-10-09 EP disclosed
WO-1995018109-A1 NOVEL ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-07-06 WO disclosed