SCHEMBL19984919

SCHEMBL19984919

CCOC(=O)/C(=C/OC(O)C=C(C)C)C1CCCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
ALDH1A1 P00352 3/20 0.37
PSMB5 P28074 1/20 0.37
HTT P42858 2/20 0.36
XBP1 P17861 1/20 0.36
FFAR1 O14842 1/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 1/20 0.35
USP2 O75604 2/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 3/20 0.35
BLM P54132 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADRB3 P13945 1/20 0.35

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
SCHEMBL19985041 0.97 ANO1 (0.38) PRMT5WDR77ALDH1A1PSMB5HTT
SCHEMBL19985047 0.94 PIN1 (0.38) FFAR1KMT2AMEN1ANO1
SCHEMBL19985045 0.86 ALDH1A1 (0.39) PRMT5WDR77ALDH1A1PSMB5HTT
SCHEMBL19984881 0.83 ANO1 (0.38) PRMT5WDR77ALDH1A1PSMB5HTT
SCHEMBL23934480 0.82 PIN1 (0.43) KMT2AMEN1TSHRANO1
SCHEMBL19984900 0.82 FFAR1 (0.38) FFAR1KMT2AMEN1CYP3A4
SCHEMBL21538694 0.81 ALDH1A1 (0.43) PRMT5WDR77ALDH1A1HTTXBP1
SCHEMBL19984893 0.80 SIGMAR1 (0.32) ALDH1A1KMT2AMEN1KDM4E
SCHEMBL23934559 0.80 PIN1 (0.38) ALDH1A1HTTXBP1FFAR1KMT2A
SCHEMBL19984877 0.79 TSHR (0.37) ALDH1A1PSMB5KMT2AHPGDMEN1

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