SCHEMBL9720237

SCHEMBL9720237

CC(C)(C)OC(=O)C1(CCCCOS(C)(=O)=O)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MMP9 P14780 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7362008 0.80 CYP4F2 (0.35) CYP4F2CYP4A11
SCHEMBL9720226 0.80 CYP4F2 (0.64) CYP4F2CYP4A11
SCHEMBL17444026 0.78 CYP4F2 (0.33) CYP4F2CYP4A11KDM4EUSP2ALDH1A1
SCHEMBL22071018 0.78 CYP4F2 (0.66) CYP4F2CYP4A11
SCHEMBL28254100 0.78 CYP4F2 (0.45) CYP4F2CYP4A11
SCHEMBL17443975 0.77 CYP4F2 (0.34) CYP4F2CYP4A11KDM4EUSP2ALDH1A1
SCHEMBL17444214 0.77 CYP4F2 (0.34) CYP4F2CYP4A11KDM4EUSP2ALDH1A1
SCHEMBL22071050 0.76 CYP4F2 (0.58) CYP4F2CYP4A11
SCHEMBL798441 0.76 CYP4F2 (0.60) CYP4F2CYP4A11
SCHEMBL798227 0.76 CYP4F2 (0.60) CYP4F2CYP4A11

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
US-5081245-A Selective antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-14 US disclosed
EP-0356765-A2 Carboxylic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-03-07 EP disclosed