SCHEMBL19956017

SCHEMBL19956017

CNC1CCCC=C(C)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
CASP6 P55212 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 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
SCHEMBL5864169 0.87
SCHEMBL5864428 0.73
SCHEMBL6591689 0.71
SCHEMBL20220722 0.71 TDP1 (0.39) POLBCASP6CTDSP1TDP1ALDH1A1
SCHEMBL6591686 0.70
SCHEMBL23555421 0.68 MEN1 (0.36) TDP1DRD2DRD4DRD3
SCHEMBL3680261 0.68 CA1 (0.31)
SCHEMBL3680264 0.68 CA1 (0.31)
SCHEMBL3672780 0.67
SCHEMBL3672779 0.67

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-3127988-B1 ORGANIC LIGHT-EMITTING DEVICE LG CHEMICAL LTD (KR) 2018-03-14 EP disclosed