SCHEMBL19985041

SCHEMBL19985041

CCOC(=O)/C(=C/OC(O)C=C(C)C)C1CCCCc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.38
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PSMB5 P28074 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HTT P42858 2/20 0.34
XBP1 P17861 1/20 0.34
FFAR1 O14842 1/20 0.34
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
USP2 O75604 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL19984919 0.97 PRMT5 (0.38) ANO1PRMT5WDR77KDM4EPSMB5
SCHEMBL19985047 0.93 PIN1 (0.38) ANO1FFAR1KMT2AMEN1
SCHEMBL19984881 0.86 ANO1 (0.38) ANO1PRMT5WDR77KDM4EPSMB5
SCHEMBL19985045 0.83 ALDH1A1 (0.39) ANO1PRMT5WDR77KDM4EPSMB5
SCHEMBL23934480 0.81 PIN1 (0.43) ANO1KMT2AMEN1
SCHEMBL19984900 0.81 FFAR1 (0.38) FFAR1KMT2AMEN1
SCHEMBL21538768 0.81 ANO1 (0.41) ANO1KDM4EALDH1A1HTTXBP1
SCHEMBL19984893 0.80 SIGMAR1 (0.32) KDM4EALDH1A1KMT2AMEN1
SCHEMBL23934559 0.79 PIN1 (0.38) ANO1ALDH1A1HTTXBP1FFAR1
SCHEMBL19984877 0.78 TSHR (0.37) KDM4EPSMB5ALDH1A1KMT2AHPGD

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-2018050477-A1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 WO disclosed