SCHEMBL21180974

SCHEMBL21180974

CCC(C)(N)CC/C=C(\C)CCCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
PTPN1 P18031 2/20 0.45
ALOX15 P16050 2/20 0.33
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
SNCA P37840 1/20 0.32
PDE3A Q14432 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32
SQLE Q14534 3/20 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
SCHEMBL5694030 0.83 KDM1A (0.49) KDM1APTPN1ALOX15PTGS1PDE4A
SCHEMBL5694028 0.83 KDM1A (0.49) KDM1APTPN1ALOX15PTGS1PDE4A
SCHEMBL277179 0.77 MEN1 (0.38) ALOX15MEN1CYP3A4KMT2A
SCHEMBL15822149 0.77 KDM1A (0.50) KDM1APTPN1ALOX15KMT2ASQLE
SCHEMBL15822150 0.77 KDM1A (0.50) KDM1APTPN1ALOX15KMT2ASQLE
SCHEMBL8908025 0.76 KDM1A (0.49) KDM1APTPN1ALOX15PTGS1PDE4A
SCHEMBL15821739 0.76 KDM1A (0.49) KDM1APTPN1ALOX15PTGS1PDE4A
SCHEMBL8908018 0.76 KDM1A (0.49) KDM1APTPN1ALOX15PTGS1PDE4A
SCHEMBL27785652 0.75 KDM1A (0.62) KDM1APTPN1PTGS1PDE4ASNCA
SCHEMBL5693809 0.75 ALOX15 (0.62) KDM1APTPN1ALOX15PTGS1PDE4A

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
EP-2935177-B1 (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM 6,10-DIMETYLUNDEC-5-EN-2-ONE OR 6,10-DIMETYLUNDECA-5,9-DIEN-2-ONE DSM IP ASSETS BV (NL) 2019-07-24 EP disclosed