SCHEMBL7196314

SCHEMBL7196314

CCCCCCCCCCCCCCCCCCNn1ccc(=O)n(NCCCCCCCCCCCCCCCCCC)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP4Z1 Q86W10 4/20 0.35
S1PR2 O95136 2/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
ASAH1 Q13510 1/20 0.35
EPHX1 P07099 3/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CYP3A4 P08684 1/20 0.34
G6PD P11413 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NAAA Q02083 1/20 0.33
LMNA P02545 1/20 0.33
S1PR4 O95977 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
SCHEMBL28910359 0.75 EPHX1 (0.48) CYP1A2S1PR2S1PR1S1PR3EPHX1
SCHEMBL25430771 0.72 GPR84 (0.44)
SCHEMBL28737767 0.70 GPR84 (0.38) CYP1A2CYP4Z1ASAH1EPHX1
SCHEMBL9763767 0.70 CRBN (0.42)
SCHEMBL19628813 0.67 CYP4Z1 (0.42) CYP4Z1ASAH1EPHX1ALDH1A1NAAA
SCHEMBL1465952 0.65 CYP4Z1 (0.47) CYP4Z1ASAH1
SCHEMBL27903571 0.64 MGLL (0.57) CYP4Z1ASAH1EPHX1ALDH1A1TP53
SCHEMBL27921301 0.64 MGLL (0.57) CYP4Z1ASAH1EPHX1ALDH1A1TP53
SCHEMBL20360089 0.64 MGLL (0.57) CYP4Z1ASAH1EPHX1ALDH1A1TP53
SCHEMBL28035741 0.64 MGLL (0.57) CYP4Z1ASAH1EPHX1ALDH1A1TP53

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
EP-1318168-A1 Stabiliser combinations for chlorinated polymers Crompton Vinyl Additives GmbH (DE) 2003-06-11 EP disclosed