SCHEMBL22319795

SCHEMBL22319795

CC(C)=CCC/C(C)=C/COCCC(C)CCCC(C)C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.52
ALOX15 P16050 3/20 0.43
ALDH1A1 P00352 1/20 0.43
FDFT1 P37268 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
KDM1A O60341 1/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.40
LSS P48449 1/20 0.39
GGPS1 O95749 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
PTPN2 P17706 1/20 0.38
CDC25B P30305 1/20 0.38

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
SCHEMBL28279472 0.88 ALOX15 (0.50) ALOX15ALDH1A1FDFT1FNTAFNTB
Squalene SCHEMBL23581966 0.82 KMT2A (0.59) PTPN1ALOX15ALDH1A1KDM1AKMT2A
SCHEMBL22319793 0.82 PTPN1 (0.57) PTPN1KDM1AKMT2A
SCHEMBL7946561 0.80 PTPN1 (0.71) PTPN1ALOX15KDM1AKMT2AMEN1
SCHEMBL30711116 0.80 PTPN1 (0.71) PTPN1ALOX15KDM1AKMT2AMEN1
SCHEMBL28820216 0.78 PTPN1 (0.55) PTPN1FDFT1KDM1ALSSPTPN2
Trans-Phytol SCHEMBL2066043 0.77 PTPN1 (0.79) PTPN1ALOX15ALDH1A1KDM1AKMT2A
Trans-Phytol SCHEMBL4063116 0.77 PTPN1 (0.79) PTPN1ALOX15ALDH1A1KDM1AKMT2A
SCHEMBL28279471 0.76 ALOX15 (0.55) ALOX15ALDH1A1FDFT1FNTAFNTB
SCHEMBL24183169 0.76 KMT2A (0.64) ALOX15ALDH1A1FDFT1FNTAFNTB

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-20200255841-A1 HOST CELLS AND METHODS FOR REDUCING ISOPRENOID PRECURSORS AND ISOPRENOIDS BY GERANYLGERANYL REDUCTASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-13 US disclosed