SCHEMBL10588657

SCHEMBL10588657

CCC(=O)Nc1c(CC)cccc1CC

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
CYP2C19 P33261 1/20 0.62
HIF1A Q16665 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
ALDH1A1 P00352 3/20 0.51
CACNA1C Q13936 2/20 0.51
SCN5A Q14524 2/20 0.51
KDM4E B2RXH2 2/20 0.51
NLRP3 Q96P20 1/20 0.51
THRB P10828 1/20 0.51
POLB P06746 2/20 0.50
TP53 P04637 2/20 0.50
MAPT P10636 1/20 0.50
NR4A1 P22736 1/20 0.50
RAB9A P51151 1/20 0.50
HTT P42858 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL12923166 0.89 POLB (0.64) ALOX15CYP2C19TDP1ALDH1A1SCN5A
SCHEMBL21820780 0.86 CYP2C19 (0.60) ALOX15TSHRCYP2C19HIF1ATDP1
SCHEMBL23388356 0.84 CYP2C19 (0.58) ALOX15TSHRCYP2C19HIF1ATDP1
SCHEMBL11142972 0.84 ALOX15 (0.58) ALOX15TSHRCYP2C19HIF1ATDP1
SCHEMBL6769239 0.84 SMN1; SMN2 (0.59) ALOX15TSHRCYP2C19HIF1ATDP1
SCHEMBL10392123 0.84 ALOX15 (0.58) ALOX15TSHRCYP2C19HIF1ATDP1
SCHEMBL18415577 0.83 HTT (0.58) ALOX15TSHRCYP2C19HIF1ATDP1
SCHEMBL12933284 0.81 POLB (0.60) ALOX15TSHRCYP2C19HIF1ATDP1
SCHEMBL27734228 0.81 SMN1; SMN2 (0.57) ALOX15TSHRCYP2C19HIF1ATDP1
SCHEMBL28264607 0.81 ALOX15 (0.55) ALOX15TSHRCYP2C19HIF1ATDP1

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-0340198-A1 Immunoassay for the detection of alpha-haloacetamides Monsanto Company (US) 1989-11-02 EP disclosed