SCHEMBL6403776

SCHEMBL6403776

NC(C1=CCCCCCCCC1)(C1=CCCCCCCCC1)C1=CCCCCCCCC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HDAC4 P56524 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL3674020 0.81 KDM1A (0.33) KDM1AALDH1A1
SCHEMBL3674014 0.81 KDM1A (0.33) KDM1AALDH1A1
SCHEMBL850818 0.79 KDM1A (0.33) KDM1AHDAC4HDAC2HDAC8HDAC6
SCHEMBL7593007 0.79 KDM1A (0.33) KDM1AHDAC4HDAC2HDAC8HDAC6
SCHEMBL10547757 0.79 KDM1A (0.33) KDM1AHDAC4HDAC2HDAC8HDAC6
SCHEMBL3145809 0.78 KDM1A (0.34) KDM1AALDH1A1
SCHEMBL3674303 0.78 KDM1A (0.34) KDM1AALDH1A1
SCHEMBL2339926 0.75 KDM1A (0.31) KDM1AHDAC4HDAC2HDAC8HDAC6
SCHEMBL3671537 0.73
SCHEMBL2864571 0.72 KDM1A (0.32) KDM1AALDH1A1HDAC4HDAC2HDAC8

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
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed