SCHEMBL8849320

SCHEMBL8849320

C=C(C)C(=O)OC(C)C1(C(=O)OCC2CO2)CCCCC1C(=O)OCC1CO1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL8849200 0.85 TP53 (0.40) ALDH1A1TP53CYP3A4
SCHEMBL16027797 0.75 HRH3 (0.30)
SCHEMBL7728256 0.72 TP53 (0.53) ALDH1A1TP53CYP3A4
SCHEMBL7723055 0.72 TP53 (0.55) ALDH1A1TP53CYP3A4
SCHEMBL1595554 0.71 HSD11B1 (0.32)
SCHEMBL1006236 0.71
SCHEMBL1005226 0.70
SCHEMBL6066163 0.70 TP53 (0.53) ALDH1A1TP53CYP3A4
SCHEMBL7665289 0.69 ALDH1A1 (0.50) ALDH1A1TP53CYP3A4
SCHEMBL8894921 0.69 ALDH1A1 (0.68) ALDH1A1TP53CYP3A4

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-0593769-B1 THERMOPLASTIC ELASTOMER COMPOSITION NIPPON ZEON CO (JP) 1997-10-22 EP disclosed
US-5541258-A CROSSLINKED ACRYLATE COPOLYMER RUBBERS WITH CARBOXY GROUPS AND EPOXY GROUPS NIPPON ZEON CO., LTD. (JP) 1996-07-30 US disclosed
EP-0594854-B1 THERMOPLASTIC ELASTOMER COMPOSITION NIPPON ZEON CO (JP) 1996-05-29 EP disclosed
EP-0594854-A1 THERMOPLASTIC ELASTOMER COMPOSITION NIPPON ZEON CO., LTD. (JP) 1994-05-04 EP disclosed
EP-0593769-A1 THERMOPLASTIC ELASTOMER COMPOSITION NIPPON ZEON CO., LTD. (JP) 1994-04-27 EP disclosed