Dimethylspingosine

Dimethylspingosine

SCHEMBL8258015

CCCCCCCCCCCCC/C=C/C(O)C(CO)N(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPHK2 Q9NRA0 6/20 1.00
▸ SPHK1 Q9NYA1 6/20 1.00
▸ CETP P11597 5/20 1.00
▸ MEN1 O00255 5/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ MAPT P10636 4/20 0.61
▸ MAPK1 P28482 3/20 0.61
▸ CYP2D6 P10635 3/20 0.61
▸ THRB P10828 3/20 0.61
▸ GMNN O75496 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ GLA P06280 2/20 0.61
▸ POLB P06746 2/20 0.61
▸ CXCR5 P32302 2/20 0.61
▸ CCR6 P51684 2/20 0.61
▸ BLM P54132 2/20 0.61
▸ UBE2N P61088 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ TP53 P04637 2/20 0.61
▸ CYP1A2 P05177 2/20 0.61

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
Dimethylspingosine SCHEMBL5493697 1.00 SPHK2 (1.00) SPHK2SPHK1CETPMEN1KMT2A
Dimethylspingosine SCHEMBL121926 1.00 SPHK2 (1.00) SPHK2SPHK1CETPMEN1KMT2A
Dimethylspingosine SCHEMBL121927 1.00 SPHK2 (1.00) SPHK2SPHK1CETPMEN1KMT2A
Dimethylspingosine SCHEMBL19745875 0.93 SPHK2 (0.86) SPHK2SPHK1CETPMEN1KMT2A
SCHEMBL14020662 0.85 SPHK2 (0.74) SPHK2SPHK1CETPMEN1KMT2A
SCHEMBL8912325 0.85 SPHK2 (0.74) SPHK2SPHK1CETPMEN1KMT2A
SCHEMBL21428462 0.84 SPHK2 (0.72) SPHK2SPHK1CETPMEN1KMT2A
SCHEMBL29455695 0.83 SPHK2 (0.70) SPHK2SPHK1CETPMEN1KMT2A
SCHEMBL11895494 0.79 SPHK2 (0.69) SPHK2SPHK1CETPMEN1KMT2A
Sphingosine SCHEMBL27529594 0.79 SPHK2 (0.90) SPHK2SPHK1CETPMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11406643-B2 Targeting kinases for the treatment of cancer metastasis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-08-09 — — US disclosed
EP-4036583-A1 TARGETING KINASES FOR THE TREATMENT OF CANCER METASTASIS Board of Regents, The University of Texas System (US) 2022-08-03 — — EP disclosed
US-20200197407-A1 TARGETING KINASES FOR THE TREATMENT OF CANCER METASTASIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2020-06-25 — — US disclosed
WO-2006081327-A2 SMALL MOLECULES THAT REDUCE FUNGAL GROWTH UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2006-08-03 — — WO disclosed
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