SCHEMBL8732672

SCHEMBL8732672

CCCNC(=O)c1c(Cl)cccc1OC(CC)(CC)CC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.43
HPGD P15428 3/20 0.42
POLB P06746 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
HCRTR1 O43613 2/20 0.40
TAAR1 Q96RJ0 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RX7 Q99572 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL8733056 0.88 SLC6A9 (0.44) SLC6A9HPGDPOLBL3MBTL1THRB
SCHEMBL8732670 0.88 SLC6A9 (0.42) SLC6A9HPGDPOLBL3MBTL1THRB
SCHEMBL8735808 0.84 HPGD (0.64) SLC6A9HPGDPOLBALDH1A1RAB9A
SCHEMBL10289215 0.81 ALDH1A1 (0.57) SLC6A9HPGDPOLBL3MBTL1THRB
SCHEMBL7217388 0.78 ALDH1A1 (0.44) SLC6A9HPGDPOLBALDH1A1P2RX7
SCHEMBL8761884 0.77 EPHX1 (0.47) L3MBTL1ALDH1A1KMT2A
SCHEMBL8730858 0.75 HTT (0.43) HPGDPOLBL3MBTL1THRBRECQL
SCHEMBL8732675 0.75 POLB (0.43) HPGDPOLBL3MBTL1THRBRECQL
SCHEMBL18359173 0.75 HPGD (0.57) HPGDPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL8732695 0.75 P2RX7 (0.58) SLC6A9HPGDPOLBL3MBTL1THRB

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-0749416-B1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO CO (US) 1998-12-23 EP disclosed