SCHEMBL14040314

SCHEMBL14040314

CCC(C)(CC)Oc1ccc(C(C)(C)c2ccc(OC(=O)C(C)(C)C(C)(CC)Oc3ccc(C(C)(c4ccccc4)c4ccc(OC(=O)C(C)(C)CC)cc4)cc3)c(C)c2)cc1C

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
HTT P42858 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 5/20 0.32
LMNA P02545 3/20 0.32
POLB P06746 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ELANE P08246 1/20 0.31
VDR P11473 2/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL21168208 0.88 ELANE (0.36) ELANEVDR
SCHEMBL13951768 0.85 BCHE (0.32) KDM4EMEN1KMT2AHTTSMN1; SMN2
SCHEMBL13063335 0.84 KDM4E (0.35) KDM4EMEN1KMT2AHTTSMN1; SMN2
SCHEMBL12907945 0.82 VDR (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1VDR
SCHEMBL14701777 0.81 VDR (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1VDR
SCHEMBL14117017 0.80 ELANE (0.33) KDM4EMEN1KMT2AHTTSMN1; SMN2
SCHEMBL14727637 0.80 BCHE (0.31) KDM4EMEN1KMT2AHTTSMN1; SMN2
SCHEMBL19631066 0.79 VDR (0.33) ELANEVDR
SCHEMBL15085234 0.79 KDM4E (0.33) KDM4EMEN1KMT2AHTTSMN1; SMN2
SCHEMBL16298982 0.78 KDM4E (0.35) KDM4EMEN1KMT2AHTTSMN1; SMN2

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-20080268357-A1 Phthalocyanine Composition and Photoconductive Material, Electrophotographic Photoreceptor Cartridge, and Image-Forming Apparatus Each Employing the Composition MITSUBISHI CHEMICAL CORPORATION (JP) 2008-10-30 US disclosed