SCHEMBL2431569

SCHEMBL2431569

CCCCCC(CCC)COC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ADH1B P00325 2/20 0.37
ADH1C P00326 2/20 0.37
ADH1A P07327 2/20 0.37
ADH4 P08319 2/20 0.37
ADH7 P40394 2/20 0.37
TSHR P16473 6/20 0.37
FDPS P14324 4/20 0.36
CYP3A4 P08684 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPA1 O75762 1/20 0.36
DDAH1 O94760 1/20 0.36
GAPDH P04406 1/20 0.36
MAPT P10636 1/20 0.36
EPHX1 P07099 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
SCHEMBL27781256 0.98 LMNA (0.42) LMNACA12CA1CA2CA7
SCHEMBL8634231 0.96 LMNA (0.41) LMNAADH1BADH1CADH1AADH4
Cyclohexane SCHEMBL28005770 0.94 LMNA (0.35) LMNACA12CA1CA2CA7
SCHEMBL3040110 0.94 CYP3A4 (0.41) CA12CA1CA2CA7CA14
SCHEMBL7205361 0.94 LMNA (0.45) LMNAADH1BADH1CADH1AADH4
SCHEMBL7204584 0.94 LMNA (0.45) LMNAADH1BADH1CADH1AADH4
SCHEMBL18400778 0.94 LMNA (0.45) LMNAADH1BADH1CADH1AADH4
SCHEMBL7209541 0.94 LMNA (0.45) LMNAADH1BADH1CADH1AADH4
SCHEMBL18613557 0.92 LMNA (0.43) LMNACA2ADH1BADH1CADH1A
SCHEMBL28080612 0.89 CA12 (0.45) CA12CA1CA2CA7CA14

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011110350-A1 USE OF 2-PROPYLHEPTYL ESTERS AS PLASTICIZERS OR VISCOSITY MODIFIERS FOR POLYMERS EMERY OLEOCHEMICALS GMBH (DE) 2011-09-15 WO claimed
WO-2011110350-A1 USE OF 2-PROPYLHEPTYL ESTERS AS PLASTICIZERS OR VISCOSITY MODIFIERS FOR POLYMERS EMERY OLEOCHEMICALS GMBH (DE) 2011-09-15 WO disclosed
WO-2011110350-A1 USE OF 2-PROPYLHEPTYL ESTERS AS PLASTICIZERS OR VISCOSITY MODIFIERS FOR POLYMERS EMERY OLEOCHEMICALS GMBH (DE) 2011-09-15 WO disclosed
EP-1636192-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2006-03-22 EP disclosed
WO-2004108683-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-16 WO disclosed