SCHEMBL4459894

SCHEMBL4459894

CCCCC1(CCCC)COC(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.37
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
CYP19A1 P11511 1/20 0.30
LMNA P02545 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
SCHEMBL4455670 0.88 S1PR1 (0.33) S1PR1
SCHEMBL4446549 0.79 NPSR1 (0.34) KDM4ELMNA
SCHEMBL2394831 0.73 MGLL (0.32) KDM4E
SCHEMBL12427227 0.72 MGLL (0.32)
SCHEMBL15698614 0.71
SCHEMBL3420125 0.71 KDM4E (0.32) KDM4E
SCHEMBL4462359 0.71 S1PR1 (0.33) S1PR1HSD17B10
SCHEMBL11534270 0.67 CYP19A1 (0.42) HSD17B10CYP19A1
SCHEMBL8957217 0.65 PRKCA (0.36) HSD17B10
SCHEMBL4455865 0.65

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-20090184062-A1 METHOD FOR INHIBITING BIOFILM GROWTH PPG INDUSTRIES OHIO, INC. (US) 2009-07-23 US disclosed