SCHEMBL19976541

SCHEMBL19976541

CCCCCCc1cc(CNCCCCCC(=O)NC(CC)CCCC)nc(C(=O)NCCS(=O)(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.39
CNR1 P21554 9/20 0.39
PLA2G2C Q5R387 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
GRIA1 P42261 1/20 0.34
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 3/20 0.33
S1PR2 O95136 2/20 0.33
PLA2G10 O15496 1/20 0.33

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
SCHEMBL21297663 0.78 MAPK8 (0.35)
SCHEMBL19976528 0.76 PDE5A (0.42) S1PR1S1PR3S1PR2
SCHEMBL101553 0.75 EPHX1 (0.39) CNR1HDAC1HDAC2
SCHEMBL22259933 0.74 KDM4E (0.40) CNR1S1PR1S1PR3S1PR2
SCHEMBL17299116 0.70 PDE5A (0.38)
SCHEMBL101551 0.64 METTL3 (0.31) HDAC1
SCHEMBL258527 0.62 CASP2 (0.61)
SCHEMBL21274180 0.62 CASP2 (0.61)
SCHEMBL258662 0.62 CASP2 (0.61)
SCHEMBL258406 0.62 CASP2 (0.61)

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