SCHEMBL17339729

SCHEMBL17339729

CCC(C)(C)C1CCC(C)(CO)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL17003738 0.86 KDM4E (0.38) KDM4EALDH1A1TDP1EPHX1
SCHEMBL18643748 0.78 KDM4E (0.34) KDM4E
SCHEMBL18643835 0.76 KDM4E (0.37) KDM4EALDH1A1TDP1
SCHEMBL15536229 0.75 EPHX1 (0.34) ALDH1A1TDP1EPHX1
SCHEMBL22747702 0.73 KDM4E (0.41) KDM4EGAA
SCHEMBL18643972 0.73 PTGS1 (0.34) ALDH1A1TDP1EPHX1
SCHEMBL20938628 0.72 KDM4E (0.44) KDM4EGAAALDH1A1TDP1
SCHEMBL2151480 0.72
SCHEMBL2585535 0.71 EPHX1 (0.34) ALDH1A1EPHX1
SCHEMBL26196760 0.71 EPHX1 (0.42) EPHX1

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
US-9212115-B2 Alicyclic diol compound and manufacturing method thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-12-15 US disclosed