SCHEMBL8555615

SCHEMBL8555615

COCCOCn1c(=O)[nH]c(Oc2cc(C)cc(C)c2)c(C(C)C)c1=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KMT2A Q03164 2/20 0.31
NTRK1 P04629 1/20 0.31
NTRK3 Q16288 1/20 0.31
NTRK2 Q16620 1/20 0.31
MEN1 O00255 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PKM P14618 1/20 0.30
HTT P42858 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
SCHEMBL8553566 0.89 HTT (0.34) HTT
SCHEMBL8393791 0.83 ALDH1A1 (0.46) ALDH1A1
SCHEMBL8071758 0.82 MEN1 (0.35) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL7848800 0.80 KDM4E (0.34) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL7847745 0.78 ELANE (0.32) ALDH1A1GLAKMT2AMEN1
SCHEMBL7848233 0.78 MTNR1A (0.39) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL7846207 0.77 TLR7 (0.42) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL7844254 0.76 LMNA (0.33)
SCHEMBL8530296 0.76 GRIN1 (0.35) ALDH1A1HSD17B10KMT2AMEN1
SCHEMBL7843323 0.76 GRIN1 (0.36) KDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912526-A1 ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 1999-05-06 EP disclosed
WO-1997043266-A1 ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1997-11-20 WO disclosed