SCHEMBL5078153

SCHEMBL5078153

CCCCCCCCNC(=O)N(CCCCCCCC)C(=O)CC#N

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.43
EPHX2 P34913 2/20 0.41
ZDHHC20 Q5W0Z9 3/20 0.41
ZDHHC2 Q9UIJ5 3/20 0.41
CASP2 P42575 1/20 0.40
MCL1 Q07820 1/20 0.40
NAAA Q02083 1/20 0.38
PLA2G2A P14555 1/20 0.38
DNM1 Q05193 1/20 0.38
MGLL Q99685 1/20 0.37

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
SCHEMBL5076250 0.91 MCL1 (0.42) EPHX1ZDHHC20ZDHHC2MCL1DNM1
SCHEMBL13868080 0.82 EPHX1 (0.57) EPHX1EPHX2ZDHHC20ZDHHC2CASP2
SCHEMBL20623094 0.82 EPHX1 (0.57) EPHX1EPHX2ZDHHC20ZDHHC2CASP2
SCHEMBL13097658 0.82 EPHX1 (0.57) EPHX1EPHX2ZDHHC20ZDHHC2CASP2
SCHEMBL8767024 0.81 EPHX2 (0.51) EPHX1EPHX2CASP2NAAAPLA2G2A
SCHEMBL8766653 0.81 EPHX2 (0.51) EPHX1EPHX2CASP2NAAAPLA2G2A
SCHEMBL8767408 0.81 EPHX2 (0.51) EPHX1EPHX2CASP2NAAAPLA2G2A
SCHEMBL8766660 0.81 EPHX2 (0.51) EPHX1EPHX2CASP2NAAAPLA2G2A
SCHEMBL27543496 0.80 EPHX1 (0.46) EPHX1EPHX2ZDHHC20ZDHHC2CASP2
SCHEMBL18047858 0.78 EPHX1 (0.48) EPHX1EPHX2ZDHHC20ZDHHC2CASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358286-B2 Stabilizer system for stabilizing PVC CHEMTURA VINYL ADDITIVES GMBH (DE) 2008-04-15 US disclosed
US-20060052497-A1 Stabilizer system for stabilizing pvc CROMPTON VINYL ADDITIVES GMBH (DE) 2006-03-09 US disclosed