SCHEMBL8487791

SCHEMBL8487791

CC(=O)OC1(O)CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.31
OPRM1 P35372 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
Hydrochloric Acid SCHEMBL28777414 0.98 KDM4E (0.35) KDM4EKMT2AALOX15OPRM1SIGMAR1
SCHEMBL6092390 0.83
SCHEMBL3844048 0.78 KDM4E (0.38) KDM4EKMT2AOPRM1SIGMAR1CYP1A2
SCHEMBL27664279 0.78
SCHEMBL8401641 0.78 ALOX15 (0.33) ALOX15
SCHEMBL7405510 0.77 KDM4E (0.41) KDM4EKMT2AOPRM1CYP1A2
SCHEMBL27689252 0.77 KDM4E (0.36) KDM4EKMT2AALOX15OPRM1CYP1A2
SCHEMBL28515873 0.77 KDM4E (0.41) KDM4EKMT2A
SCHEMBL28609456 0.77 KDM4E (0.41) KDM4EKMT2ACYP1A2
SCHEMBL4225849 0.76 SMN1; SMN2 (0.33) KMT2AALOX15

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
CN-101565420-B Limk2 inhibitors, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS INC 2015-05-20 CN disclosed
CN-104619709-A Imidazopyridine derivatives as modulators of TNF activity UCB PHARMA SA 2015-05-13 CN disclosed
CN-101565420-A LIMK2 inhibitors, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS INC (US) 2009-10-28 CN disclosed
CN-101052625-A As P2X7Adamantyl derivatives of receptor antagonists ASTRAZENECA AB (SE) 2007-10-10 CN disclosed
WO-1999065881-A1 HETEROCYCLIC COMPOUNDS AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-23 WO disclosed