SCHEMBL4623653

SCHEMBL4623653

CC(C)Cn1c(=O)[nH]c(=O)c2[nH]c(CCO)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.43
PDE1A P54750 3/20 0.43
PDE1B Q01064 3/20 0.43
PDE1C Q14123 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
PDE2A O00408 2/20 0.39
MTOR P42345 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL9646522 0.85 KDM4E (0.44) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL4796596 0.85 PDE1A (0.46) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL7007230 0.84 MEN1 (0.50) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL9160664 0.83 PDE5A (0.44) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL5646 0.79 PDE2A (0.61) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL3110928 0.78 PNP (0.48) PDE5AMEN1KMT2ATSHRKDM4E
SCHEMBL19583186 0.77 KDM4E (0.43) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL272517 0.75 KDM4E (0.41) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL6234430 0.75 PDE5A (0.64) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL9645631 0.74 ADORA2A (0.40) PDE5APDE1APDE1BPDE1CMEN1

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-1904020-A2 NEW SLIMMING COSMETIC COMPOSITIONS Sederma S.A.S. (FR) 2008-04-02 EP disclosed
WO-2007010478-A2 SLIMMING COSMETIC COMPOSITIONS SEDERMA (FR) 2007-01-25 WO disclosed