SCHEMBL30477175

SCHEMBL30477175

CCC(COCC(CC)(COC(=O)c1ccccc1C(=O)O)COC(=O)c1ccccc1C(=O)O)(COC(=O)c1ccccc1C(=O)O)COC(=O)c1ccccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
TSHR P16473 7/20 0.51
MAPK1 P28482 3/20 0.49
HIF1A Q16665 1/20 0.49
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP3A4 P08684 3/20 0.45
TP53 P04637 1/20 0.45
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.40
CA2 P00918 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL28439910 0.94 ALDH1A1 (0.56) ALDH1A1TSHRMAPK1HIF1ATDP1
SCHEMBL13497558 0.90 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1HIF1ATDP1
SCHEMBL16248492 0.89 ALDH1A1 (0.51) ALDH1A1TSHRMAPK1HIF1ATDP1
SCHEMBL18995899 0.88 CYP3A4 (0.54) ALDH1A1TSHRMAPK1HIF1ATDP1
SCHEMBL27090163 0.86 TSHR (0.50) ALDH1A1TSHRMAPK1HIF1ATDP1
SCHEMBL22979070 0.85 TSHR (0.53) ALDH1A1TSHRMAPK1HIF1ATDP1
SCHEMBL9615549 0.84 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1HIF1ATDP1
SCHEMBL13497089 0.84 THRB (0.65) ALDH1A1TSHRMAPK1HIF1ATDP1
SCHEMBL31167285 0.83 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1HIF1ATDP1
Adipic Acid SCHEMBL6710037 0.82 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1HIF1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4164783-A1 POLYAMIDE MICROCAPSULES Firmenich SA (CH) 2023-04-19 EP disclosed