SCHEMBL4537552

SCHEMBL4537552

CCCCCCCCC(C(N)=O)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
EPHX1 P07099 10/20 0.41
BCHE P06276 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 2/20 0.41
TSHR P16473 1/20 0.40
NAAA Q02083 1/20 0.40

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
SCHEMBL27719303 0.98 EPHX1 (0.44) LCKPPARDZDHHC20ZDHHC2EPHX1
SCHEMBL11010077 0.98 EPHX1 (0.44) LCKPPARDZDHHC20ZDHHC2EPHX1
SCHEMBL1478219 0.93 CA1 (0.46) EPHX1BCHEEPHX2TSHR
SCHEMBL11571824 0.93 LCK (0.44) LCKPPARDZDHHC20ZDHHC2EPHX1
SCHEMBL1478217 0.93 CA1 (0.46) EPHX1BCHEEPHX2TSHR
SCHEMBL28562560 0.93 LCK (0.44) LCKPPARDZDHHC20ZDHHC2EPHX1
SCHEMBL28299893 0.92 ALDH1A1 (0.48) EPHX1ALDH1A1KMT2AEPHX2TSHR
SCHEMBL931251 0.91 EPHX1 (0.47) EPHX1EPHX2TSHR
SCHEMBL641050 0.91 CA1 (0.42) LCKPPARDZDHHC20ZDHHC2EPHX1
SCHEMBL2703033 0.86 LCK (0.44) LCKPPARDZDHHC20ZDHHC2EPHX1

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
WO-2012065038-A2 AGENTS FOR THE CONTROL OF LIMNOPERNA SP. MARRONE BIO INNOVATIONS, INC. (US) 2012-05-18 WO claimed
EP-2820140-A1 CONTROL OF PHYTOPATHOGENIC MICROORGANISMS WITH PSEUDOMONAS SP. AND SUBSTANCES AND COMPOSITIONS DERIVED THEREFROM Marrone Bio Innovations, Inc. (US) 2015-01-07 EP disclosed
WO-2013130680-A1 CONTROL OF PHYTOPATHOGENIC MICROORGANISMS WITH PSEUDOMONAS SP. AND SUBSTANCES AND COMPOSITIONS DERIVED THEREFROM MARRONE BIO INNOVATIONS, INC. (US) 2013-09-06 WO disclosed