SCHEMBL7651783

SCHEMBL7651783

Cn1c(C(F)(F)F)c(C(=O)OCc2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 3/20 0.46
MMP12 P39900 4/20 0.43
MMP1 P03956 3/20 0.43
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40

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
SCHEMBL24476408 0.73 KMT2A (0.55) KMT2AMMP12MMP1MMP2MMP9
SCHEMBL6256905 0.71 AKR1B1 (0.48) RAB9AKMT2ANPC1MMP12MMP1
SCHEMBL7366178 0.71 MMP1 (0.55) RAB9AKMT2AMMP12MMP1MMP2
SCHEMBL19847432 0.71 ALDH1A1 (0.50) RAB9AKMT2ANPC1MMP12MMP1
SCHEMBL7121166 0.71 MAT2A (0.51) RAB9AKMT2ANPC1MMP12MMP1
SCHEMBL19928034 0.70 MAPT (0.57) RAB9AKMT2ANPC1MAPK1SMN1; SMN2
SCHEMBL24449298 0.70 KMT2A (0.53) RAB9AKMT2ANPC1MMP12MMP1
SCHEMBL6237834 0.70 HSD17B10 (0.45) RAB9AKMT2AMMP12MMP1MMP2
SCHEMBL19982128 0.69 ALDH1A1 (0.51) RAB9AKMT2ANPC1MMP12MMP1
SCHEMBL17965761 0.68 TDP1 (0.61) RAB9AKMT2ANPC1MMP12MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380134-B1 USED FOR CONTROLLING WEEDS SYNGENTA CROP PROTECTION, INC. 2002-04-30 US disclosed
EP-1084117-A2 NOVEL HERBICIDES Novartis AG (CH) 2001-03-21 EP disclosed
WO-1999052892-A2 NOVEL HERBICIDES NOVARTIS AG (CH) 1999-10-21 WO disclosed