SCHEMBL2265095

SCHEMBL2265095

CC(OC(=O)CO)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
MMP2 P08253 2/20 0.37
CA9 Q16790 2/20 0.37
EPHX2 P34913 2/20 0.36
CTSK P43235 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
SHBG P04278 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL11160115 0.90 TSHR (0.34) LMNACYP2D6TSHR
SCHEMBL3784779 0.84 SHBG (0.40) EPHX1CA12CA1CA2MMP2
SCHEMBL10936420 0.82 LMNA (0.48) EPHX1EPHX2LMNAALDH1A1SMN1; SMN2
SCHEMBL941154 0.81 LMNA (0.43) EPHX1EPHX2LMNASHBGALDH1A1
SCHEMBL1055162 0.81 LMNA (0.43) EPHX1EPHX2LMNASHBGALDH1A1
SCHEMBL1054941 0.81 LMNA (0.43) EPHX1EPHX2LMNASHBGALDH1A1
SCHEMBL1397235 0.80
SCHEMBL1397237 0.80
SCHEMBL6870723 0.80
SCHEMBL1396679 0.80

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-8741809-B2 Liquid pyraclostrobin-containing crop protection formulations BASF SE (DE) 2014-06-03 US disclosed
CN-102176821-A Liquid aqueous crop protection formulations BASF SE 2011-09-07 CN disclosed
CN-102176820-A Liquid crop protection formulations containing pyraclostrobin BASF SE 2011-09-07 CN disclosed
US-20110195846-A1 Liquid Pyraclostrobin-Containing Crop Protection Formulations BASF SE (DE) 2011-08-11 US disclosed