SCHEMBL19985045

SCHEMBL19985045

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
HTT P42858 2/20 0.39
XBP1 P17861 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
PSMB5 P28074 1/20 0.37
FFAR1 O14842 1/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 2/20 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
CYP2C19 P33261 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
SCHEMBL19984881 0.97 ANO1 (0.38) ALDH1A1HTTXBP1PRMT5WDR77
SCHEMBL23934559 0.94 PIN1 (0.38) ALDH1A1HTTXBP1FFAR1KMT2A
SCHEMBL19984919 0.86 PRMT5 (0.38) ALDH1A1HTTXBP1PRMT5WDR77
SCHEMBL19985041 0.83 ANO1 (0.38) ALDH1A1HTTXBP1PRMT5WDR77
SCHEMBL23934499 0.82 PIN1 (0.43) KMT2AMEN1TSHRANO1
SCHEMBL19985027 0.82 FFAR1 (0.38) FFAR1KMT2AMEN1CYP3A4L3MBTL1
SCHEMBL23934550 0.82 KMT2A (0.36) ALDH1A1HTTXBP1PRMT5WDR77
SCHEMBL19985037 0.81 SSTR4 (0.34) ALDH1A1KMT2AMEN1KDM4ETSHR
SCHEMBL21538694 0.81 ALDH1A1 (0.43) ALDH1A1HTTXBP1PRMT5WDR77
SCHEMBL19984885 0.80 SIGMAR1 (0.34) ALDH1A1KMT2AMEN1L3MBTL1

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