SCHEMBL7762046

SCHEMBL7762046

CC[CH]COc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
MAOB P27338 2/20 0.50
AOC3 Q16853 1/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL5953372 0.81 L3MBTL1 (0.71) L3MBTL1MAOBAOC3KDM4EALDH1A1
SCHEMBL9797421 0.81 L3MBTL1 (0.51) L3MBTL1MAOBAOC3KDM4EALDH1A1
SCHEMBL9811694 0.81 L3MBTL1 (0.51) L3MBTL1MAOBAOC3KDM4EALDH1A1
SCHEMBL817396 0.80 MAOB (0.52) L3MBTL1MAOBAOC3KDM4EALDH1A1
SCHEMBL584635 0.80 KDM4E (0.54) L3MBTL1MAOBAOC3KDM4EALDH1A1
SCHEMBL29705676 0.80 KDM4E (0.54) L3MBTL1MAOBAOC3KDM4EALDH1A1
SCHEMBL171811 0.78 L3MBTL1 (0.68) L3MBTL1MAOBAOC3KDM4EALDH1A1
SCHEMBL11515037 0.77 MAOB (0.50) L3MBTL1MAOBAOC3KDM4EALDH1A1
SCHEMBL2429378 0.77 L3MBTL1 (0.66) L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL28746105 0.76 ACHE (0.48) L3MBTL1MAOBKDM4EKMT2A

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-2001091558-A1 HERBICIDAL AGENTS BASED ON SUBSTITUTED CARBOXAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-12-06 WO disclosed