SCHEMBL19985046

SCHEMBL19985046

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A4 P31645 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
CETP P11597 1/20 0.32
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
HTR2B P41595 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
SCHEMBL19984918 0.87 GAA (0.35) FFAR1NPSR1MAPTKDM4EGAA
SCHEMBL23934559 0.84 PIN1 (0.38) FFAR1ALDH1A1
SCHEMBL21538766 0.82 NPSR1 (0.40) FFAR1NPSR1MAPTKDM4EGAA
SCHEMBL23934558 0.81 MTNR1B (0.39) KDM4EALDH1A1SMN1; SMN2CYP2C19
SCHEMBL19984904 0.79 MMP1 (0.35) MAPTKDM4EGAAALDH1A1CYP1A2
SCHEMBL19984936 0.79 KDM4E (0.34) FFAR1NPSR1MAPTKDM4EGAA
SCHEMBL19985045 0.78 ALDH1A1 (0.39) FFAR1KDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL21538742 0.78 NPSR1 (0.35) FFAR1NPSR1MAPTKDM4EGAA
SCHEMBL21538746 0.78 NPSR1 (0.35) FFAR1NPSR1MAPTKDM4EGAA
SCHEMBL19984881 0.77 ANO1 (0.38) FFAR1KDM4EALDH1A1

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