SCHEMBL6894666

SCHEMBL6894666

[O]CC(=O)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
EPHX1 P07099 6/20 0.41
HSD11B1 P28845 3/20 0.38
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
HSD11B2 P80365 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NAAA Q02083 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
EPHX2 P34913 1/20 0.35
MGLL Q99685 1/20 0.35

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
SCHEMBL6195957 0.97
SCHEMBL14747461 0.81 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL599277 0.80 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL5443541 0.78 CES2 (0.52) CES2CES1HDAC8HDAC6TSHR
SCHEMBL3955263 0.78 CES2 (0.52) CES2CES1HDAC8HDAC6TSHR
SCHEMBL14606394 0.78
SCHEMBL11974546 0.77 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL23727961 0.76 CES2 (0.43) CES2CES1HDAC8HDAC6TSHR
SCHEMBL2108161 0.76 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL4453508 0.76 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR

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
US-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed
US-5620944-A PRE- AND POST-EMERGENT WEED CONTROL NIHON NOHYAKU CO., LTD. (JP) 1997-04-15 US disclosed
EP-0590834-B1 Phenylimidazole derivatives, processes for production thereof, herbicides comprising said derivatives, and usages of said herbicides NIHON NOHYAKU CO LTD (JP) 1996-12-11 EP disclosed
EP-0590834-A1 Phenylimidazole derivatives, processes for production thereof, herbicides comprising said derivatives, and usages of said herbicides NIHON NOHYAKU CO., LTD. (JP) 1994-04-06 EP disclosed