SCHEMBL7842674

SCHEMBL7842674

C=CCn1c(Oc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O.Cc1cc(C)cc(Oc2[nH]c(=O)[nH]c(=O)c2C(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.32
TP53 P04637 2/20 0.32
MAPK1 P28482 2/20 0.32
RAB9A P51151 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
ATM Q13315 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.30
GAA P10253 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
SCHEMBL6087870 0.92 SMN1; SMN2 (0.38) ALDH1A1HPGDHSD17B10SMN1; SMN2KMT2A
SCHEMBL7850057 0.83 GRIN1 (0.37) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7850932 0.82 ALDH1A1 (0.34) ALDH1A1HPGDHSD17B10SMN1; SMN2KMT2A
SCHEMBL7855069 0.82 TYMP (0.31)
SCHEMBL7854164 0.81 GRIN1 (0.34) KMT2A
SCHEMBL501343 0.80 PDE3B (0.38) ALDH1A1SMN1; SMN2LMNAMAPK1TSHR
SCHEMBL1484872 0.80 ALDH1A1 (0.34) ALDH1A1HPGDHSD17B10LMNATP53
SCHEMBL1484869 0.80 ALDH1A1 (0.34) ALDH1A1HPGDHSD17B10LMNATP53
SCHEMBL7757632 0.80 ALDH1A1 (0.34) ALDH1A1HPGDHSD17B10LMNATP53
SCHEMBL7848465 0.79 ROCK2 (0.32)

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-1100786-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2001-05-23 EP disclosed
WO-2000061564-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-10-19 WO disclosed