Trans-Phytol

Trans-Phytol

SCHEMBL7946558

C/C(=C\CO)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.CCOCC

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.81
PTGS1 P23219 1/20 0.42
PDE4A P27815 1/20 0.42
SNCA P37840 1/20 0.42
PDE3A Q14432 1/20 0.42
KDM1A O60341 1/20 0.41
PTPN2 P17706 1/20 0.40
CDC25B P30305 1/20 0.40
LMNA P02545 1/20 0.39
PSEN1 P49768 1/20 0.35
BLM P54132 1/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPV1 Q8NER1 1/20 0.34

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
Trans-Phytol SCHEMBL1254535 0.90 PTPN1 (0.93) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL8079351 0.90 PTPN1 (1.00) PTPN1PTGS1PDE4ASNCAPDE3A
Trans-Phytol SCHEMBL17962948 0.90 PTPN1 (1.00) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL8079352 0.90 PTPN1 (1.00) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL8079353 0.90 PTPN1 (1.00) PTPN1PTGS1PDE4ASNCAPDE3A
Trans-Phytol SCHEMBL14763835 0.90 PTPN1 (1.00) PTPN1PTGS1PDE4ASNCAPDE3A
Trans-Phytol SCHEMBL22784 0.90 PTPN1 (1.00) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL4718132 0.90 PTPN1 (1.00) PTPN1PTGS1PDE4ASNCAPDE3A
Trans-Phytol SCHEMBL16367020 0.90 PTPN1 (1.00) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL8070052 0.90 PTPN1 (1.00) PTPN1PTGS1PDE4ASNCAPDE3A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262029-B1 TRITERPENE AGLYCONE CORE SUBSTITUTED AT POSITIONS 3 AND 28 WITH A MONOSACCHARIDE OR AN OLIGOSACCHARIDE WHICH CAN BE THE SAME OR DIFFERENT, AND HAVING AN ALDEHYDE GROUP ATTACHED TO THE CORE, PREFERABLY AT THE 4-POSITION. GALENICA PHARMACEUTICALS, INC. 2001-07-17 US disclosed
WO-2000009075-A2 CHEMICALLY MODIFIED SAPONINS AND THE USE THEREOF AS ADJUVANTS GALENICA PHARMACEUTICALS, INC. (US) 2000-02-24 WO disclosed