SCHEMBL9280504

SCHEMBL9280504

CC#COc1cccc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.54
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
AR P10275 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 3/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
ALOX5 P09917 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL30692443 1.00 ACHE (0.54) ACHEALDH1A1LMNAGAASLC6A2
SCHEMBL15421219 0.77 ACHE (0.56) ACHEALDH1A1LMNAGAASLC6A2
SCHEMBL4179729 0.77 ACHE (0.56) ACHEALDH1A1LMNAGAASLC6A2
SCHEMBL98118 0.77 ACHE (0.56) ACHEALDH1A1LMNAGAAAR
SCHEMBL12916666 0.77 ACHE (0.56) ACHEALDH1A1LMNAGAASLC6A2
SCHEMBL9285026 0.76 KDM4E (0.44) ALDH1A1L3MBTL1TDP1POLB
SCHEMBL237878 0.75 CA4 (0.43) LMNA
SCHEMBL10304841 0.73
SCHEMBL9277840 0.73 ACHE (0.46) ACHEALDH1A1LMNATDP1MAPT
SCHEMBL492314 0.72 ACHE (0.68) ACHEALDH1A1LMNAGAASLC6A2

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
EP-0407341-B1 Selective herbicidal agent CIBA GEIGY AG (CH) 1995-12-06 EP claimed