SCHEMBL8822672

SCHEMBL8822672

CCCCCCCCCCCCCCCCC(CC(CCCCCCCCCCCCCCCC)C(=O)OC1CCCCC1)C(=O)OC1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.58
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 1/20 0.44
EPHX1 P07099 5/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
ADRA1A P35348 1/20 0.42
CHRNA4 P43681 1/20 0.42
HTR3A P46098 1/20 0.42
KCNH2 Q12809 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CA2 P00918 1/20 0.41
TSHR P16473 1/20 0.41
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
ZDHHC7 Q9NXF8 1/20 0.39
HTT P42858 1/20 0.39
CYP19A1 P11511 1/20 0.38
SLC1A2 P43004 1/20 0.38

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
SCHEMBL28605467 0.92 NAAA (0.56) NAAAALDH1A1KMT2AEPHX1CHRM2
SCHEMBL7223238 0.92 NAAA (0.56) NAAAALDH1A1KMT2AEPHX1CHRM2
SCHEMBL27864138 0.91 NAAA (0.55) NAAAALDH1A1KMT2AEPHX1CHRM2
SCHEMBL28414407 0.91 NAAA (0.54) NAAAALDH1A1KMT2AEPHX1CHRM2
SCHEMBL27996708 0.90 NAAA (0.54) NAAAALDH1A1KMT2AEPHX1CHRM2
SCHEMBL28004557 0.87 NAAA (0.55) NAAAALDH1A1KMT2ACHRM2CHRM1
SCHEMBL28111080 0.87 CHRM2 (0.50) NAAACHRM2CHRM1CHRM3ADRA1A
SCHEMBL15287643 0.87 CHRM2 (0.50) NAAACHRM2CHRM1CHRM3ADRA1A
SCHEMBL27746768 0.87 CHRM2 (0.50) NAAACHRM2CHRM1CHRM3ADRA1A
SCHEMBL27861183 0.87 NAAA (0.57) NAAAALDH1A1KMT2AEPHX1CHRM2

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
EP-0804151-A1 LIPOPHILIC AND AMPHIPHILIC FILM-FORMING POLYMER COMPOSITIONS, AND USE THEREOF IN TOPICAL AGENTS DELIVERY SYSTEM AND METHOD OF DELIVERING AGENTS TO THE SKIN MACROCHEM CORPORATION (US) 1997-11-05 EP disclosed
WO-1997001327-A1 LIPOPHILIC AND AMPHIPHILIC FILM-FORMING POLYMER COMPOSITIONS, AND USE THEREOF IN TOPICAL AGENTS DELIVERY SYSTEM AND METHOD OF DELIVERING AGENTS TO THE SKIN MACROCHEM CORPORATION (US) 1997-01-16 WO disclosed