SCHEMBL2528149

SCHEMBL2528149

CCC(C)C(=O)CCCO

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.40
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CES2 O00748 1/20 0.35
LTA4H P09960 1/20 0.35
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2528181 0.93 KDM4E (0.43) KDM4ESMN1; SMN2CES2LTA4HMEN1
SCHEMBL16882938 0.91 KDM4E (0.47) KDM4ESMN1; SMN2CES2MEN1FAAH
SCHEMBL2530966 0.91 KDM4E (0.47) KDM4ESMN1; SMN2CES2MEN1FAAH
SCHEMBL16882773 0.91 KDM4E (0.47) KDM4ESMN1; SMN2CES2MEN1FAAH
SCHEMBL2532287 0.85
SCHEMBL106298 0.83 CES2 (0.48) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL19973390 0.83 CES2 (0.48) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL19010488 0.83 CAMK2A (0.34) CAMK2AKDM4ESMN1; SMN2CES2LTA4H
SCHEMBL2529002 0.82 CHRM1 (0.39) CAMK2ACES2LTA4HALDH1A1
SCHEMBL2528148 0.81 CES2 (0.35) CES2LTA4HMEN1FAAHMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed
US-11718758-B2 Aqueous dispersion of colored particles MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2023-08-08 US disclosed
EP-3725854-B1 COLORED PARTICLE AQUEOUS DISPERSION MITSUBISHI PENCIL CO (JP) 2023-07-05 EP disclosed
CN-106045833-A Preparation method of 5-methyl-2-heptylene-4-one 广西大学 2016-10-26 CN disclosed
US-20070298351-A1 IMAGE RECORDING MATERIAL, PLANOGRAPHIC PRINTING PLATE PRECURSOR, AND PLANOGRAPHIC PRINTING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2007-12-27 US disclosed