SCHEMBL7759936

SCHEMBL7759936

CCOCC=CCn1c(Sc2ccccc2)c(CC)c(=O)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK1 P04183 9/20 0.43
HPGD P15428 2/20 0.37
TK2 O00142 3/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 4/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33

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
SCHEMBL7759934 1.00 TK1 (0.43) TK1HPGDTK2LMNAPKM
SCHEMBL7756577 0.85 ALDH1A1 (0.44) TK1HPGDLMNAPKMALDH1A1
SCHEMBL7756583 0.85 ALDH1A1 (0.44) TK1HPGDLMNAPKMALDH1A1
SCHEMBL599846 0.84 ALDH1A1 (0.41) HPGDLMNAPKMALDH1A1TSHR
SCHEMBL7756656 0.83 LMNA (0.38) TK1HPGDLMNAPKMALDH1A1
SCHEMBL7756652 0.83 LMNA (0.38) TK1HPGDLMNAPKMALDH1A1
SCHEMBL7757667 0.82 LMNA (0.52) HPGDLMNAPKMALDH1A1TSHR
SCHEMBL7758853 0.80 LMNA (0.38) TK1HPGDLMNAPKMALDH1A1
SCHEMBL9597854 0.77 ALDH1A1 (0.53) TK1HPGDLMNAPKMALDH1A1
SCHEMBL8760090 0.76 UPP1 (0.49) ALDH1A1TSHRMAPK1NPSR1

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