SCHEMBL11830010

SCHEMBL11830010

O=C(OC1CCC(OC(=O)C2CC2)CC1)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FABP7 O15540 1/20 0.35
FABP5 Q01469 1/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
EPHX1 P07099 2/20 0.33
MAPT P10636 2/20 0.31
ELANE P08246 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31

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
SCHEMBL9228141 1.00
Iodide SCHEMBL28946787 0.97 SERPINE1 (0.34) SERPINE1KMT2AMEN1RAB9AL3MBTL1
SCHEMBL28037226 0.97 SERPINE1 (0.34) SERPINE1KMT2AMEN1RAB9AL3MBTL1
SCHEMBL12799473 0.90 PLG (0.41) KMT2AMEN1RAB9AL3MBTL1FABP7
SCHEMBL14679492 0.90 EPHX2 (0.34) SERPINE1KMT2AMEN1RAB9AL3MBTL1
SCHEMBL23587604 0.89 EPHX1 (0.45) KMT2AFABP7FABP5HTTSMN1; SMN2
SCHEMBL20152474 0.88 CYP19A1 (0.41) SERPINE1KMT2AMEN1RAB9AL3MBTL1
SCHEMBL20152476 0.88 CYP19A1 (0.41) SERPINE1KMT2AMEN1RAB9AL3MBTL1
SCHEMBL20275995 0.88 CYP19A1 (0.41) SERPINE1KMT2AMEN1RAB9AL3MBTL1
SCHEMBL20152479 0.88 CYP19A1 (0.41) SERPINE1KMT2AMEN1RAB9AL3MBTL1

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
US-3995054-A MITICIDES ZOECON CORPORATION (US) 1976-11-30 US disclosed