SCHEMBL7095347

SCHEMBL7095347

CC(=O)OCCCCCCCCCCCCCCC(=O)C1CCCCCCCCCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MAPK1 P28482 1/20 0.38
MCL1 Q07820 1/20 0.36
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NAAA Q02083 4/20 0.34
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.33
TLR4 O00206 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL16291203 0.84 MCL1 (0.47) MAPK1MCL1ALDH1A1KMT2ATLR4
SCHEMBL9665167 0.80 NAAA (0.45) LMNAMAPK1MCL1NAAATLR4
SCHEMBL7762851 0.80 NAAA (0.45) LMNAMAPK1MCL1NAAATLR4
SCHEMBL7757533 0.80 NAAA (0.45) LMNAMAPK1MCL1NAAATLR4
SCHEMBL8984610 0.79 MCL1 (0.44) MAPK1MCL1ALDH1A1NAAAKMT2A
SCHEMBL29191656 0.78 NAAA (0.42) LMNAMAPK1MCL1ALDH1A1NAAA
SCHEMBL9146338 0.78 MAPK1 (0.44) LMNAMAPK1MCL1ALDH1A1KMT2A
SCHEMBL535448 0.76 LMNA (0.45) LMNAMAPK1MCL1ALDH1A1NAAA
SCHEMBL8920483 0.76 NPC1 (0.44) LMNAAPOBEC3AAPOBEC3GALDH1A1NAAA
SCHEMBL8984381 0.74 EPHX2 (0.49) MCL1

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