SCHEMBL3390598

SCHEMBL3390598

CC(C)Cn1c(=O)n(C)c(=O)c2[nH]c(CCCCC/C=C\C/C=C\CCCCCCCC(=O)O)nc21

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
ALDH1A1 P00352 1/20 0.60
PDE5A O76074 8/20 0.52
PDE1A P54750 3/20 0.52
PDE1B Q01064 3/20 0.52
PDE1C Q14123 3/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
PDE2A O00408 3/20 0.48
PDE3B Q13370 3/20 0.47
PDE3A Q14432 3/20 0.47
ADORA1 P30542 1/20 0.44

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
SCHEMBL4622802 0.74 PDE5A (0.68) CYP1A2CYP2C19ALDH1A1PDE5APDE1A
SCHEMBL10960178 0.73 PDE5A (0.70) CYP1A2CYP2C19ALDH1A1PDE5APDE1A
SCHEMBL2917588 0.72 PDE5A (0.74) CYP1A2CYP2C19PDE5APDE1APDE1B
SCHEMBL8906588 0.71 CYP2C19 (0.64) CYP1A2CYP2C19ALDH1A1PDE5APDE1A
SCHEMBL782824 0.69 PDE5A (1.00) CYP1A2CYP2C19PDE5APDE1APDE1B
SCHEMBL10956362 0.68 PDE5A (0.52) CYP1A2CYP2C19PDE5APDE1APDE1B
SCHEMBL10956357 0.68 PDE5A (0.52) CYP1A2CYP2C19PDE5APDE1APDE1B
SCHEMBL21765989 0.68 POLB (0.77) CYP1A2CYP2C19ALDH1A1CYP3A4TSHR
SCHEMBL11033222 0.67 ALDH1A1 (0.60) CYP1A2CYP2C19ALDH1A1CYP3A4TSHR
SCHEMBL8814146 0.67 POLB (0.67) CYP1A2CYP2C19ALDH1A1PDE5APDE1A

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
EP-1692275-B1 METHOD AND SYSTEM FOR PREPARING STEM CELLS FROM FAT TISSUE BIOMASTER INC (JP) 2010-12-29 EP claimed