SCHEMBL20201700

SCHEMBL20201700

Cc1cc(OCC2CC2)c(C)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CNR2 P34972 11/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
PDPK1 O15530 1/20 0.40
MAP4K4 O95819 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
FER P16591 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3B P49841 1/20 0.40
IRAK1 P51617 1/20 0.40
RPS6KA3 P51812 1/20 0.40
STK3 Q13188 1/20 0.40

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
SCHEMBL20201737 0.89 CNR2 (0.40) CNR2KMO
SCHEMBL21325090 0.82 CNR2 (0.42) CNR2RIPK1
SCHEMBL20206812 0.82 TRPV1 (0.42) CNR2
SCHEMBL13475569 0.79 HPGD (0.49) GAA
SCHEMBL16135136 0.79 CYP3A4 (0.40) ALDH1A1POLBGAARIPK1HTR2C
SCHEMBL20201699 0.79 PDE10A (0.40) CNR2RETRIPK1HTR2CHTR2B
SCHEMBL23909099 0.78 CNR2 (0.38) CNR2HTR2CHTR2BKMO
SCHEMBL20201733 0.78 SCN9A (0.46)
SCHEMBL23915543 0.78 CNR2 (0.40) CNR2HTR2CHTR2BKMO
SCHEMBL24777832 0.78 SCN9A (0.49)

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
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed