SCHEMBL8764656

SCHEMBL8764656

[Li]COc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MAOB P27338 3/20 0.53
AOC3 Q16853 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
NR4A2 P43354 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
ALOX15 P16050 1/20 0.45

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
SCHEMBL30167649 0.82 L3MBTL1 (0.55) L3MBTL1KDM4EMAOBAOC3MRGPRX4
SCHEMBL5162633 0.81 L3MBTL1 (0.54) L3MBTL1KDM4EMAOBAOC3MRGPRX4
SCHEMBL535459 0.81 L3MBTL1 (0.54) L3MBTL1KDM4EMAOBAOC3MRGPRX4
SCHEMBL2093117 0.81 KDM4E (0.58) L3MBTL1KDM4EMAOBAOC3MRGPRX4
SCHEMBL5953372 0.81 L3MBTL1 (0.71) L3MBTL1KDM4EMAOBAOC3MRGPRX4
SCHEMBL10043036 0.81 L3MBTL1 (0.54) L3MBTL1KDM4EMAOBAOC3MRGPRX4
SCHEMBL3250233 0.81 L3MBTL1 (0.54) L3MBTL1KDM4EMAOBAOC3MRGPRX4
SCHEMBL2093115 0.81 KDM4E (0.58) L3MBTL1KDM4EMAOBAOC3MRGPRX4
SCHEMBL10458221 0.79 L3MBTL1 (0.60) L3MBTL1KDM4EMAOBAOC3MRGPRX4
SCHEMBL29452453 0.78 MRGPRX4 (0.62) MAOBMRGPRX4LMNAKMT2ANR4A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511826-B1 Phosphosulfonate herbicides ROHM & HAAS (US) 1997-07-16 EP disclosed
US-5500405-A Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1996-03-19 US disclosed
US-5272128-A Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1993-12-21 US disclosed
EP-0511826-A2 Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1992-11-04 EP disclosed