SCHEMBL18528657

SCHEMBL18528657

CO[Ti](CCCNC1CCCCC1)(OC)OC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
CXCR4 P61073 10/20 0.41
CXCL12 P48061 1/20 0.41
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL18528599 0.84 KDM4E (0.41) KDM4ECXCR4CXCL12ALDH1A1CYP1A2
SCHEMBL17733777 0.75 CXCR4 (0.61) KDM4ECXCR4CXCL12ALDH1A1
SCHEMBL9417435 0.75 CXCR4 (0.61) KDM4ECXCR4CXCL12ALDH1A1
SCHEMBL6645421 0.73 LMNA (0.51) KDM4ECXCR4CXCL12ALDH1A1CYP1A2
SCHEMBL4786617 0.73 CXCR4 (0.53) KDM4ECXCR4CXCL12ALDH1A1
SCHEMBL4739261 0.73 CXCR4 (0.53) KDM4ECXCR4CXCL12ALDH1A1
SCHEMBL841438 0.73 CXCR4 (0.53) KDM4ECXCR4CXCL12ALDH1A1
SCHEMBL4786588 0.73 CXCR4 (0.53) KDM4ECXCR4CXCL12ALDH1A1
SCHEMBL10604006 0.73 CXCR4 (0.53) KDM4ECXCR4CXCL12ALDH1A1
Hydrochloric Acid SCHEMBL9714202 0.73 CXCR4 (0.59) KDM4ECXCR4CXCL12ALDH1A1

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-20170054098-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2017-02-23 US disclosed