SCHEMBL21343876

SCHEMBL21343876

Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)C4(C)CC4)CC3)CC2=O)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.33
CHRM4 P08173 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
FFAR4 Q5NUL3 2/20 0.32
NAMPT P43490 1/20 0.32
DRD2 P14416 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
USP19 O94966 1/20 0.31
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA3 P34903 2/20 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
SCHEMBL24426557 0.86 CHRM4 (0.32) CHRM4
SCHEMBL21361221 0.86 USP2 (0.40)
SCHEMBL21344745 0.82 FFAR4 (0.32) MGLLFFAR4GABRDGABRA1GABRB1
SCHEMBL21343740 0.82 MEN1 (0.36) FFAR4
SCHEMBL21343905 0.80 FFAR4 (0.32) FFAR4
SCHEMBL21344641 0.80 ACACB (0.42) NAMPT
SCHEMBL21343687 0.79 KDM4E (0.39) NAMPT
SCHEMBL21344722 0.78 HSP90AA1 (0.36) TLR8TLR7
SCHEMBL24426540 0.78 MEN1 (0.33)
SCHEMBL21344647 0.77 RAB9A (0.35)

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-2019170745-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-09-12 WO disclosed