SCHEMBL7758327

SCHEMBL7758327

C/C=C/Cn1c(Cc2ccccc2)c(CC)c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HPGD P15428 6/20 0.46
HSD17B10 Q99714 4/20 0.46
TSHR P16473 4/20 0.46
NOD1 Q9Y239 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 3/20 0.43
ALOX15 P16050 3/20 0.43
NOD2 Q9HC29 2/20 0.43
TNF P01375 1/20 0.43
TP53 P04637 1/20 0.43
CXCL8 P10145 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TYMP P19971 1/20 0.37
TK1 P04183 3/20 0.36
MAPK1 P28482 3/20 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
SCHEMBL7758330 1.00 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10TSHRNOD1
SCHEMBL7758254 0.88 LTA4H (0.39) ALDH1A1HPGDHSD17B10TSHRNOD1
SCHEMBL7758249 0.88 LTA4H (0.39) ALDH1A1HPGDHSD17B10TSHRNOD1
SCHEMBL7759889 0.86 LMNA (0.47) ALDH1A1HPGDNOD1L3MBTL1LMNA
SCHEMBL7756611 0.85 ALDH1A1 (0.37) ALDH1A1HPGDHSD17B10TSHRNOD1
SCHEMBL7756600 0.85 ALDH1A1 (0.37) ALDH1A1HPGDHSD17B10TSHRNOD1
SCHEMBL9119053 0.80 SMN1; SMN2 (0.35) ALDH1A1HPGDHSD17B10TSHRNOD1
SCHEMBL7758263 0.80 TP53 (0.36) ALDH1A1TSHRLMNATP53MAPT
SCHEMBL7758268 0.80 TP53 (0.36) ALDH1A1TSHRLMNATP53MAPT
SCHEMBL9119058 0.80 SMN1; SMN2 (0.35) ALDH1A1HPGDHSD17B10TSHRNOD1

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