Dihydrospingosine

Dihydrospingosine

SCHEMBL7594434

CCCCCCCCCCCCCCCC(O)C(N)CO.O=P(O)(O)O

nearest known ligand 0.82

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Dihydrospingosine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.82
SPHK1 Q9NYA1 2/20 0.82
GMNN O75496 1/20 0.82
LMNA P02545 1/20 0.82
POLB P06746 1/20 0.82
THPO P40225 1/20 0.82
MTOR P42345 1/20 0.82
BLM P54132 1/20 0.82
KDM4E B2RXH2 1/20 0.82
TP53 P04637 1/20 0.82
CYP1A2 P05177 1/20 0.82
CYP3A4 P08684 1/20 0.82
MAPT P10636 1/20 0.82
CETP P11597 1/20 0.82
HTT P42858 1/20 0.82
UBE2N P61088 1/20 0.82
LAP3 P28838 2/20 0.55
S1PR2 O95136 5/20 0.50
S1PR1 P21453 5/20 0.50
S1PR3 Q99500 5/20 0.50

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
Dihydrospingosine SCHEMBL30473323 1.00 CYP2D6 (0.82) CYP2D6SPHK1GMNNLMNAPOLB
Dihydrospingosine SCHEMBL13285654 0.91 CYP2D6 (1.00) CYP2D6SPHK1GMNNLMNAPOLB
SCHEMBL1901499 0.91 CYP2D6 (1.00) CYP2D6SPHK1GMNNLMNAPOLB
SCHEMBL1907293 0.91 CYP2D6 (1.00) CYP2D6SPHK1GMNNLMNAPOLB
SCHEMBL8746720 0.91 CYP2D6 (1.00) CYP2D6SPHK1GMNNLMNAPOLB
Dihydrospingosine SCHEMBL1905632 0.91 CYP2D6 (1.00) CYP2D6SPHK1GMNNLMNAPOLB
Dihydrospingosine SCHEMBL7106054 0.91 CYP2D6 (1.00) CYP2D6SPHK1GMNNLMNAPOLB
SCHEMBL21660227 0.91 CYP2D6 (1.00) CYP2D6SPHK1GMNNLMNAPOLB
SCHEMBL21431064 0.91 CYP2D6 (1.00) CYP2D6SPHK1GMNNLMNAPOLB
Dihydrospingosine SCHEMBL3509781 0.91 CYP2D6 (1.00) CYP2D6SPHK1GMNNLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768328-A1 GENE REGULATION VIA CONDITIONAL NUCLEAR LOCALIZATION OF GENE MODULATING POLYPEPTIDES Refuge Biotechnologies, Inc. (US) 2021-01-27 EP disclosed
WO-2019183572-A1 GENE REGULATION VIA CONDITIONAL NUCLEAR LOCALIZATION OF GENE MODULATING POLYPEPTIDES REFUGE BIOTECHNOLOGIES, INC. (US) 2019-09-26 WO disclosed
WO-2018175480-A1 METHODS OF INHIBITING FUNGAL CERAMIDE SYNTHASE FOR TREATMENT OF CRYPTOCOCCUS NEOFORMANS INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-09-27 WO disclosed
US-20170198308-A1 Chimeric Proteins and Methods of Regulating Gene Expression THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-07-13 US disclosed
EP-1257559-A1 MAMMALIAN SPHINGOSINE-1-PHOSPHATE PHOSPHATASE Merck & Co., Inc. (US) 2002-11-20 EP disclosed
WO-2001057057-A1 MAMMALIAN SPHINGOSINE-1-PHOSPHATE PHOSPHATASE MERCK & CO., INC. (US) 2001-08-09 WO disclosed
WO-1995021848-A1 SPHINGOID BASES AND METHODS FOR THEIR PREPARATION AND USE THE UNITED STATES OF AMERICA, REPRESENTED BY THE (US) 1995-08-17 WO disclosed