SCHEMBL7759873

SCHEMBL7759873

CC=CCn1c(Cc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
HPGD P15428 5/20 0.36
HSD17B10 Q99714 4/20 0.36
TSHR P16473 3/20 0.36
LMNA P02545 3/20 0.36
ALOX15 P16050 3/20 0.36
NOD1 Q9Y239 3/20 0.35
MAPK1 P28482 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NOD2 Q9HC29 2/20 0.33
TNF P01375 1/20 0.33
TP53 P04637 1/20 0.33
CXCL8 P10145 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DAO P14920 1/20 0.30
IDH1 O75874 1/20 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
SCHEMBL7759871 1.00 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10TSHRLMNA
SCHEMBL7756553 0.85 TSHR (0.37) ALDH1A1TSHRLMNAKDM4ETP53
SCHEMBL7756562 0.85 TSHR (0.37) ALDH1A1TSHRLMNAKDM4ETP53
SCHEMBL7756611 0.82 ALDH1A1 (0.37) ALDH1A1HPGDHSD17B10TSHRLMNA
SCHEMBL7756600 0.82 ALDH1A1 (0.37) ALDH1A1HPGDHSD17B10TSHRLMNA
SCHEMBL23752310 0.79 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ADAOIDH1
SCHEMBL1484556 0.78 ALDH1A1 (0.34) ALDH1A1HPGDHSD17B10TSHRLMNA
SCHEMBL1484872 0.78 ALDH1A1 (0.34) ALDH1A1HPGDHSD17B10TSHRLMNA
SCHEMBL7757632 0.78 ALDH1A1 (0.34) ALDH1A1HPGDHSD17B10TSHRLMNA
SCHEMBL7757690 0.78 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10TSHRLMNA

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