SCHEMBL6087134

SCHEMBL6087134

CC(=O)Cn1c(Oc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL12829055 0.85 MAOB (0.36) MEN1KMT2ATDP1PDE3BPDE3A
SCHEMBL6087128 0.83 TPH1 (0.34) MEN1KMT2AHTTGRIN1GRIN2B
SCHEMBL6087042 0.83 SMN1; SMN2 (0.36) MEN1KMT2ATDP1GRIN1GRIN2B
SCHEMBL8067201 0.82 MEN1 (0.35) MEN1KMT2ATDP1HTT
SCHEMBL7847745 0.81 ELANE (0.32) MEN1KMT2AGRIN1GRIN2BCYP1A2
SCHEMBL8069285 0.81 ALDH1A1 (0.34) MEN1KMT2ATDP1PDE3BPDE3A
SCHEMBL6087870 0.81 SMN1; SMN2 (0.38) MEN1KMT2AHTTCYP2C19SMN1; SMN2
SCHEMBL1484944 0.81 PDE3B (0.31) PDE3BPDE3A
SCHEMBL8067216 0.81 PNP (0.36) HTT
SCHEMBL6086817 0.80 HPGD (0.43) MEN1KMT2AHTTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6987114-B1 Antiviral pyrimidinedione derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD (KR) 2006-01-17 US disclosed