SCHEMBL21180976

SCHEMBL21180976

C/C(=C\CCCCC(C)(OO)OO)CCCC(C)CCCC(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.54
KDM1A O60341 1/20 0.43
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGS1 P23219 1/20 0.39
PDE4A P27815 1/20 0.39
SNCA P37840 1/20 0.39
PDE3A Q14432 1/20 0.39
PTPN2 P17706 1/20 0.37
CDC25B P30305 1/20 0.37
LMNA P02545 1/20 0.34
PSEN1 P49768 2/20 0.33

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
SCHEMBL21086823 0.93 KDM1A (0.46) PTPN1KDM1AMEN1CYP3A4ALOX15
SCHEMBL20430465 0.92 PTPN1 (0.49) PTPN1KDM1AMEN1CYP3A4ALOX15
SCHEMBL21180963 0.92 PTPN1 (0.56) PTPN1KDM1AMEN1CYP3A4ALOX15
SCHEMBL20749443 0.89 KDM1A (0.50) PTPN1KDM1AMEN1CYP3A4ALOX15
SCHEMBL15821746 0.81 PTPN1 (0.56) PTPN1KDM1AMEN1CYP3A4ALOX15
SCHEMBL15822806 0.81 PTPN1 (0.56) PTPN1KDM1AMEN1CYP3A4ALOX15
SCHEMBL15822340 0.81 PTPN1 (0.56) PTPN1KDM1AMEN1CYP3A4ALOX15
SCHEMBL20677648 0.81 PTPN1 (0.56) PTPN1KDM1AMEN1CYP3A4ALOX15
SCHEMBL17260202 0.81 PTPN1 (0.56) PTPN1KDM1AMEN1CYP3A4ALOX15
SCHEMBL15822808 0.81 PTPN1 (0.56) PTPN1KDM1AMEN1CYP3A4ALOX15

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