SCHEMBL18665396

SCHEMBL18665396

COC(=O)CCc1cccc(CN)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
GAA P10253 1/20 0.39
PDGFRB P09619 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
CCNC P24863 1/20 0.38

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
SCHEMBL16367924 0.87 CYP4F2 (0.49) CYP4F2CYP4A11KDM4ETSHRTDP1
SCHEMBL1907798 0.84 ESR1 (0.45) CYP4F2CYP4A11KDM4ETSHRTDP1
SCHEMBL6620862 0.84 CYP4F2 (0.43) CYP4F2CYP4A11KDM4ETSHRTDP1
SCHEMBL20194551 0.84 TSHR (0.42) CYP4F2CYP4A11KDM4ETSHRTDP1
SCHEMBL584923 0.83 CYP4F2 (0.45) CYP4F2CYP4A11KDM4ETSHRTDP1
SCHEMBL28118062 0.81 TSHR (0.43) CYP4F2CYP4A11KDM4ETSHRTDP1
SCHEMBL10438855 0.79 CYP4F2 (0.58) CYP4F2CYP4A11KDM4ETSHRTDP1
Hydrochloric Acid SCHEMBL29112428 0.77 CYP4F2 (0.49) CYP4F2CYP4A11KDM4ETSHRTDP1
SCHEMBL8914213 0.76 CYP4F2 (0.51) CYP4F2CYP4A11KDM4ETSHRTDP1
SCHEMBL20834863 0.75 CYP4F2 (0.44) CYP4F2CYP4A11KDM4ETSHRTDP1

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-2017048956-A1 NUCLEOTIDE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-23 WO disclosed