SCHEMBL5219112

SCHEMBL5219112

CCCN1C(=O)C(OC)(OC)c2cc(SCCc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 3/20 0.39
RXRA P19793 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
CBX7 O95931 1/20 0.35
CDYL2 Q8N8U2 1/20 0.35
CDYL Q9Y232 1/20 0.35
CDY1; CDY1B Q9Y6F8 1/20 0.35
MCL1 Q07820 1/20 0.35
BCL2A1 Q16548 1/20 0.35
PARK7 Q99497 1/20 0.35
PLA2G2A P14555 1/20 0.35
PLA2G4B P0C869 2/20 0.34
PLA2G4A P47712 1/20 0.34
VCP P55072 1/20 0.34

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 0.94 TP53 (0.41) TP53MAPTRXRAMEN1ALDH1A1
SCHEMBL5256018 0.93 RARB (0.39) TP53MAPTMEN1ALDH1A1KMT2A
SCHEMBL5117738 0.90 TP53 (0.37) TP53POLBMAPTSMN1; SMN2MEN1
SCHEMBL5118444 0.86 TP53 (0.42) TP53MAPTMEN1ALDH1A1KMT2A
SCHEMBL5114130 0.85 TP53 (0.45) TP53MAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL5118471 0.84 TP53 (0.36) TP53POLBMAPTSMN1; SMN2MEN1
SCHEMBL5125044 0.84 TP53 (0.40) TP53MAPT
SCHEMBL5126197 0.84 TP53 (0.39) TP53POLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL5111306 0.83 TP53 (0.39) TP53MAPTSMN1; SMN2ALDH1A1CBX7
SCHEMBL5114573 0.81 LMNA (0.42) TP53MAPTSMN1; SMN2MEN1KMT2A

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