SCHEMBL9799689

SCHEMBL9799689

NC(=O)CON=C(c1ccccc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CES1 P23141 1/20 0.42
TDP1 Q9NUW8 3/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
CYP3A4 P08684 1/20 0.37
PARP1 P09874 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 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
SCHEMBL9799949 0.89 L3MBTL1 (0.42) L3MBTL1KDM4EGAAALDH1A1CES1
SCHEMBL11038316 0.86 PLOD2 (0.41) CES1KMT2APKMSMN1; SMN2NPC1
SCHEMBL9799575 0.86 PLOD2 (0.41) CES1KMT2APKMSMN1; SMN2NPC1
SCHEMBL11040229 0.85 L3MBTL1 (0.43) L3MBTL1KDM4EGAAALDH1A1TDP1
SCHEMBL9799924 0.85 L3MBTL1 (0.43) L3MBTL1KDM4EGAAALDH1A1TDP1
SCHEMBL11027064 0.83 CES2 (0.49) ALDH1A1KMT2APOLBMAPK1
SCHEMBL9799633 0.83 PARP1 (0.46) KDM4EALDH1A1TDP1KMT2APKM
SCHEMBL25273346 0.76 CES1 (0.39) L3MBTL1GAAALDH1A1CES1HTT
SCHEMBL8866277 0.74 CES1 (0.36) L3MBTL1GAAALDH1A1CES1KMT2A
SCHEMBL9799918 0.73 SMN1; SMN2 (0.54) L3MBTL1GAAALDH1A1CES1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4566901-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-01-28 US claimed
EP-0094348-B1 OXIME ETHERS, PROCESS FOR THEIR PREPARATION, AGENTS CONTAINING THE OXIME ETHERS AND THEIR USE CIBA-GEIGY AG (CH) 1985-07-24 EP claimed
US-5041663-A Plant safening agents CIBA-GEIGY CORPORATION (US) 1991-08-20 US disclosed
US-5032169-A Antidotes for herbicides CIBA-GEIGY CORPORATION (US) 1991-07-16 US disclosed
US-4759789-A Treating locus of plant before or during application of herbicide with oxime ether compound CIBA-GEIGY CORPORATION (US) 1988-07-26 US disclosed
US-4566901-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-01-28 US disclosed