SCHEMBL7756730

SCHEMBL7756730

CC=CCn1c(Oc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 7/20 0.34
HPGD P15428 5/20 0.34
HSD17B10 Q99714 5/20 0.34
TSHR P16473 3/20 0.34
LMNA P02545 3/20 0.34
ALOX15 P16050 3/20 0.34
MAPK1 P28482 3/20 0.34
KDM4E B2RXH2 2/20 0.33
NOD1 Q9Y239 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
DRD1 P21728 3/20 0.31
MAPT P10636 2/20 0.31
NOD2 Q9HC29 2/20 0.31
TNF P01375 1/20 0.31
TP53 P04637 1/20 0.31
CXCL8 P10145 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
MEN1 O00255 2/20 0.30

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
SCHEMBL7756725 1.00 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL7759888 1.00 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL7758798 0.91 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL7758804 0.91 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL7757642 0.88 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL7757638 0.88 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL6087276 0.87 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL7757625 0.85 TNF (0.35) SMN1; SMN2TNFPDE3BPDE3AMEN1
SCHEMBL7757681 0.85 TP53 (0.35) SMN1; SMN2ALDH1A1TSHRLMNAKDM4E
SCHEMBL7759865 0.85 TP53 (0.35) SMN1; SMN2ALDH1A1TSHRLMNAKDM4E

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 3 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
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