SCHEMBL27414780

SCHEMBL27414780

C/C(=C\CCC(C)CCC/C(C)=C/CO)CCCC(C)C

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.83
KDM1A O60341 1/20 0.51
ALOX15 P16050 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
CYP3A4 P08684 2/20 0.44
KMT2A Q03164 2/20 0.44
UGT1A1 P22309 1/20 0.44
PTGS1 P23219 1/20 0.42
PDE4A P27815 1/20 0.42
SNCA P37840 1/20 0.42
PDE3A Q14432 1/20 0.42
LMNA P02545 1/20 0.39
PTPN2 P17706 1/20 0.38
CDC25B P30305 1/20 0.38
SQLE Q14534 1/20 0.37

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
SCHEMBL11378309 0.92 PTPN1 (0.87) PTPN1KDM1AALOX15MAPTALDH1A1
SCHEMBL30478814 0.92 PTPN1 (0.87) PTPN1KDM1AALOX15MAPTALDH1A1
SCHEMBL11378311 0.92 PTPN1 (0.87) PTPN1KDM1AALOX15MAPTALDH1A1
Trans-Phytol SCHEMBL17962948 0.91 PTPN1 (1.00) PTPN1KDM1AALOX15MAPTALDH1A1
SCHEMBL4718132 0.91 PTPN1 (1.00) PTPN1KDM1AALOX15MAPTALDH1A1
SCHEMBL8070052 0.91 PTPN1 (1.00) PTPN1KDM1AALOX15MAPTALDH1A1
Trans-Phytol SCHEMBL14763835 0.91 PTPN1 (1.00) PTPN1KDM1AALOX15MAPTALDH1A1
Trans-Phytol SCHEMBL22784 0.91 PTPN1 (1.00) PTPN1KDM1AALOX15MAPTALDH1A1
Trans-Phytol SCHEMBL16367020 0.91 PTPN1 (1.00) PTPN1KDM1AALOX15MAPTALDH1A1
SCHEMBL8079353 0.91 PTPN1 (1.00) PTPN1KDM1AALOX15MAPTALDH1A1

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
US-20240209132-A1 COUPLING OF 2,3,5-TRIMETHYLHYDROQUINONE AND UNSATURATED ALCOHOLS DSM IP ASSETS B.V. (NL) 2024-06-27 US disclosed