SCHEMBL9801150

SCHEMBL9801150

CCCN1CCOCC1CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 4/20 0.37
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
DRD3 P35462 5/20 0.34
DRD2 P14416 4/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
OPRM1 P35372 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
DRD4 P21917 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 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
SCHEMBL30481604 0.89 PDK1 (0.36) PDK1PDK2PDK3ALDH1A1CYP1A2
SCHEMBL7022290 0.86 PDK1 (0.36) PDK1PDK2PDK3DRD3DRD2
SCHEMBL24951483 0.85 PDK1 (0.36) PDK1PDK2PDK3
SCHEMBL9801749 0.85 PDK1 (0.36) PDK1PDK2PDK3
SCHEMBL9801092 0.85 PDK1 (0.41) PDK1PDK2PDK3ALDH1A1KDM4E
SCHEMBL25125561 0.83 PDK1 (0.39) PDK1PDK2PDK3GAA
SCHEMBL890074 0.83 PDK1 (0.39) PDK1PDK2PDK3GAA
SCHEMBL30481685 0.82 PDK1 (0.42) PDK1PDK2PDK3AVPR1B
SCHEMBL9801722 0.82 KEAP1 (0.44) PDK1PDK2PDK3
SCHEMBL9801022 0.82 PDK1 (0.39) PDK1PDK2PDK3ALDH1A1KDM4E

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-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed