SCHEMBL19976528

SCHEMBL19976528

CCc1cc(CNCCCCCC(=O)O)nc(C(=O)NCCS(=O)(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.42
PDE1A P54750 2/20 0.41
PDE1B Q01064 2/20 0.41
PDE1C Q14123 2/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
S1PR2 O95136 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
AKR1B1 P15121 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
S1PR5 Q9H228 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL15500277 0.88 FABP4 (0.40) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL17299116 0.85 PDE5A (0.38) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL21297663 0.81 MAPK8 (0.35) ALDH1A1MAPK1POLBKDM4ESMN1; SMN2
SCHEMBL15500255 0.78 AKR1C3 (0.36) MAPK1BCHEACHEPOLBHDAC6
SCHEMBL17689339 0.77 LMNA (0.50) PDE5AALDH1A1LMNAMAPK1AKR1B1
SCHEMBL101553 0.76 EPHX1 (0.39) MAPK1POLBKDM4E
SCHEMBL19976541 0.76 CNR2 (0.39) S1PR1S1PR3S1PR2
SCHEMBL17689341 0.74 LMNA (0.50) ALDH1A1LMNAMAPK1AKR1B1CYP1A2
SCHEMBL21524634 0.74 LMNA (0.47) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL101551 0.69 METTL3 (0.31) HDAC6

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-9920365-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2018-03-20 US disclosed