SCHEMBL5256018

SCHEMBL5256018

CCCCCCCN1C(=O)C(OC)(OC)c2cc(SCCc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RARA P10276 1/20 0.39
MTOR P42345 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 5/20 0.38
PTGER4 P35408 2/20 0.36
PTGER2 P43116 2/20 0.36
RARG P13631 1/20 0.36
PLA2G4B P0C869 2/20 0.36
SCN9A Q15858 1/20 0.36
PLA2G4A P47712 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL5216357 0.96 TP53 (0.41) RARBMAPTMEN1ALDH1A1RARA
SCHEMBL5219112 0.93 TP53 (0.39) MAPTMEN1ALDH1A1KMT2ATP53
SCHEMBL5125044 0.92 TP53 (0.40) MAPTTP53SCN9A
SCHEMBL5118191 0.91 TP53 (0.39) RARBMAPTALDH1A1RARATP53
SCHEMBL5111306 0.91 TP53 (0.39) RARBMAPTALDH1A1RARATP53
SCHEMBL5126197 0.90 TP53 (0.39) RARBMAPTALDH1A1RARATP53
SCHEMBL5118444 0.88 TP53 (0.42) MAPTMEN1ALDH1A1KMT2ATP53
SCHEMBL5113535 0.86 TP53 (0.38) RARBMAPTALDH1A1RARATP53
SCHEMBL5124414 0.85 TP53 (0.39) RARBMAPTALDH1A1RARATP53
SCHEMBL5117738 0.83 TP53 (0.37) RARBMAPTMEN1ALDH1A1RARA

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-1828124-A1 BIAROMATIC COMPOUNDS THAT MODULATE PPAR TYPE RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development (FR) 2007-09-05 EP disclosed
WO-2006063863-A1 BIAROMATIC COMPOUNDS THAT MODULATE PPAR TYPE RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-06-22 WO disclosed