SCHEMBL19984918

SCHEMBL19984918

CCOC(=O)/C(=C/OC(O)C=C(C)C)C1CCc2ccc(C(F)(F)F)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
ATM Q13315 2/20 0.35
FFAR1 O14842 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
CETP P11597 1/20 0.34
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALOX12 P18054 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
IDO1 P14902 2/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
HPGD P15428 1/20 0.32
HTR2A P28223 3/20 0.32

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
SCHEMBL19985046 0.87 FFAR1 (0.35) GAAMAPTATMFFAR1NPSR1
SCHEMBL19985047 0.84 PIN1 (0.38) FFAR1ANO1
SCHEMBL21538766 0.82 NPSR1 (0.40) GAAMAPTATMFFAR1NPSR1
SCHEMBL23934483 0.81 MTNR1B (0.39) KDM4ESMN1; SMN2ALDH1A1CYP2C19
SCHEMBL19985009 0.80 FFAR1 (0.40) GAAFFAR1NPSR1KDM4EALDH1A1
SCHEMBL23934524 0.80 ADRA2A (0.39) GAAMAPTKDM4EPOLBSMN1; SMN2
SCHEMBL19985048 0.79 MMP1 (0.35) GAAMAPTKDM4EALDH1A1CYP1A2
SCHEMBL19984936 0.79 KDM4E (0.34) GAAMAPTATMFFAR1NPSR1
SCHEMBL19984919 0.78 PRMT5 (0.38) FFAR1KDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL23934476 0.78 GAA (0.38) GAAMAPTATMNPSR1CETP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512843-B1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-10-20 EP disclosed
WO-2018050477-A1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 WO disclosed