SCHEMBL21344668

SCHEMBL21344668

CC#Cc1cc(C)c(C2C(=O)CCCN(C(=O)N(C)C)CCCC2O)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.31
GRM5 P41594 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL21343679 0.87 MEN1 (0.34) ALDH1A1MAPTRAB9ATSHRMEN1
SCHEMBL21285242 0.86 EPHX2 (0.33) TSHRMEN1KMT2A
SCHEMBL22992135 0.84 PROKR1 (0.33) GRM5
SCHEMBL21285233 0.84 MAPK1 (0.31) ALDH1A1RAB9AGAA
SCHEMBL24325228 0.84 GAA (0.30) GAA
SCHEMBL21344637 0.84 LMNA (0.31) MAPTSMN1; SMN2
SCHEMBL19773776 0.83 CNR1 (0.36)
SCHEMBL22992045 0.82 ALDH1A1 (0.38) ALDH1A1MAPTGRM5
SCHEMBL22992154 0.82 RECQL (0.42) ALDH1A1TSHRKMT2AGAASMN1; SMN2
SCHEMBL21343724 0.82

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