SCHEMBL7095353

SCHEMBL7095353

O=C(CCCCCCCCCCCCCCCCCCCCCCCCCCO)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPK1 P28482 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
EPHX2 P34913 1/20 0.51
TDP1 Q9NUW8 2/20 0.49
KMT2A Q03164 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.46
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
NOTUM Q6P988 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CDC25B P30305 1/20 0.44

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
SCHEMBL5793190 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL19828807 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL7096279 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL905734 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL10783106 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL6387083 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL15561335 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL574387 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL15561344 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL2364491 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725772-B1 PHYTOSPHINGOSINE-BASED CERAMIDE I ANALOGS COSMOFERM BV (NL) 2003-08-20 EP disclosed
US-6054599-A DRUGS, COSMETICS; SKIN DISORDERS DSM N.V. (NL) 2000-04-25 US disclosed
US-5919960-A Phytosphingosine-based ceramide I analogs GIST-BROCADES, B.V. (NL) 1999-07-06 US disclosed
EP-0725772-A1 PHYTOSPHINGOSINE-BASED CERAMIDE I ANALOGS GIST-BROCADES B.V. (NL) 1996-08-14 EP disclosed
WO-1995011881-A1 PHYTOSPHINGOSINE-BASED CERAMIDE I ANALOGS GIST-BROCADES N.V. (NL) 1995-05-04 WO disclosed