SCHEMBL6565310

SCHEMBL6565310

CC(C)C=CC=CC(=O)CP(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
ENO1 P06733 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 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
SCHEMBL13611714 0.74 ALDH1A1 (0.36) TSHR
SCHEMBL14600850 0.68 ACHE (0.48) TSHRTDP1
SCHEMBL11129786 0.68 ACHE (0.48) TSHRTDP1
SCHEMBL14600849 0.68 ACHE (0.48) TSHRTDP1
SCHEMBL10424351 0.66 GABRP (0.31)
SCHEMBL10424353 0.66 GABRP (0.31)
SCHEMBL13604738 0.66 PPARG (0.34) TDP1
SCHEMBL13604831 0.64 GABRP (0.30)
SCHEMBL13371708 0.63 HCAR2 (0.52) MEN1HPGDKMT2ATDP1CYP2C9
SCHEMBL13041949 0.63 HCAR2 (0.52) MEN1HPGDKMT2ATDP1CYP2C9

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-1394170-A1 Process for preparing cis alkenes and new catalysts therefor Degussa AG (DE) 2004-03-03 EP disclosed