SCHEMBL19984986

SCHEMBL19984986

CC/C(=C/OC(O)C=C(C)C)C1CCOc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
MAP3K14 Q99558 1/20 0.32
ITGAV P06756 1/20 0.31
ITGB6 P18564 1/20 0.31
CYP3A4 P08684 1/20 0.31
KCNH2 Q12809 2/20 0.31
HTR2A P28223 1/20 0.30

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
SCHEMBL19984877 0.75 TSHR (0.37)
SCHEMBL23934475 0.68 TAAR1 (0.30)
SCHEMBL19985037 0.68 SSTR4 (0.34) ITGAVITGB6CYP3A4
SCHEMBL23934537 0.67 TSHR (0.36) CYP3A4
SCHEMBL22325514 0.66 TSHR (0.46) KCNH2
SCHEMBL23934550 0.64 KMT2A (0.36) CYP3A4
SCHEMBL25112123 0.64 SSTR4 (0.46) ITGAVITGB6
SCHEMBL5846872 0.64 SSTR4 (0.43) MAP3K14HTR2A
SCHEMBL28452015 0.64 P2RX7 (0.41) MAP3K14
SCHEMBL5846877 0.64 SSTR4 (0.43) MAP3K14HTR2A

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