SCHEMBL8306726

SCHEMBL8306726

COC(=O)c1ccc(F)c2c1SCCCO2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.34
ALDH1A1 P00352 6/20 0.34
HSD17B10 Q99714 3/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 3/20 0.33
ABL1 P00519 1/20 0.33
PKM P14618 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK10 P53779 1/20 0.32
SLC6A2 P23975 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL8523797 0.92 ALDH1A1 (0.35) KDM4EALDH1A1HSD17B10LMNANPC1
SCHEMBL8310526 0.83 NPC1 (0.36) HSD17B10NPC1SMN1; SMN2HTR1ATSHR
SCHEMBL13315471 0.80 KDM4E (0.42) KDM4EALDH1A1HSD17B10LMNANPC1
SCHEMBL8307322 0.80 KDM4E (0.36) KDM4EALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL8310030 0.78 TSHR (0.40) KDM4EALDH1A1HSD17B10TDP1CA12
SCHEMBL8308811 0.75 CTNNB1 (0.34) HSD17B10NPC1HTR1A
SCHEMBL5753898 0.72 SLC6A3 (0.43) KDM4EALDH1A1HSD17B10LMNANPC1
SCHEMBL26705742 0.72 SLC6A3 (0.43) KDM4EALDH1A1HSD17B10LMNANPC1
SCHEMBL26653937 0.71 ALDH1A1 (0.38) KDM4EALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL5914650 0.70 MAPT (0.42) KDM4EALDH1A1HSD17B10LMNANPC1

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-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP disclosed