SCHEMBL5101014

SCHEMBL5101014

OC(CC(O)CC1CCCCC1)CC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.36
IDO1 P14902 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
SCHEMBL20354169 0.89 KDM4E (0.42) KDM4ETP53IDO1
SCHEMBL14006052 0.86 CTSK (0.37) KDM4EALDH1A1KMT2A
SCHEMBL28622321 0.82 ALDH1A1 (0.38) KDM4EALDH1A1TP53IDO1
SCHEMBL7906892 0.82 ALDH1A1 (0.38) KDM4EALDH1A1TP53IDO1
SCHEMBL7906888 0.82 ALDH1A1 (0.38) KDM4EALDH1A1TP53IDO1
SCHEMBL27345745 0.81 TP53 (0.41) KDM4EALDH1A1KMT2ATP53
SCHEMBL7784263 0.80 TP53 (0.48) KDM4ETP53
SCHEMBL25852161 0.80 TP53 (0.48) KDM4ETP53
SCHEMBL6662787 0.80 SHBG (0.41) KDM4EALDH1A1KMT2A
SCHEMBL10843765 0.80 KDM4E (0.37) KDM4ETP53IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008055964-A1 METHOD FOR PRODUCING CYCLIC PHOSPHINES OR BIPHOSPHINES, CYCLIC PHOSPHONATES OF OPTICALLY ACTIVE DIOLS, AND THE PRODUCTION OF SAME Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2008-05-15 WO claimed
WO-2008055964-A1 METHOD FOR PRODUCING CYCLIC PHOSPHINES OR BIPHOSPHINES, CYCLIC PHOSPHONATES OF OPTICALLY ACTIVE DIOLS, AND THE PRODUCTION OF SAME Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2008-05-15 WO disclosed
WO-2008055963-A1 NOVEL METHOD FOR PRODUCING ORGANIC PHOSPHORUS COMPOUNDS, PHOSPHORUS COMPOUNDS PRODUCED USING SAID METHOD, THE METAL COMPLEXES OF SAID COMPOUNDS, AND USE OF SAME Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2008-05-15 WO disclosed