SCHEMBL8555700

SCHEMBL8555700

CN1C(=O)CCc2cc(Cl)c[c]c21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 14/20 0.47
SRD5A2 P31213 3/20 0.47
TRPV1 Q8NER1 1/20 0.33
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP19A1 P11511 1/20 0.32
HSD17B3 P37058 1/20 0.31
IDH1 O75874 1/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL8556558 0.83 SRD5A1 (0.44) SRD5A1SRD5A2CYP11B1CYP11B2CYP17A1
SCHEMBL8553871 0.81 SRD5A1 (0.46) SRD5A1SRD5A2TRPV1CYP11B1CYP11B2
SCHEMBL11255201 0.70 SRD5A1 (0.59) SRD5A1SRD5A2TRPV1CYP11B1CYP11B2
SCHEMBL8555270 0.70 SRD5A1 (0.45) SRD5A1SRD5A2CYP11B1CYP11B2CYP17A1
SCHEMBL11263558 0.67 SRD5A1 (0.55) SRD5A1SRD5A2TRPV1CYP1A2HSD17B3
SCHEMBL8555697 0.66 SRD5A1 (0.37) SRD5A1SRD5A2CYP11B1CYP11B2
SCHEMBL1746770 0.66 CYP11B2 (0.40) SRD5A1SRD5A2CYP11B1CYP11B2CYP17A1
SCHEMBL1744658 0.66 SRD5A1 (0.38) SRD5A1SRD5A2CYP11B1CYP11B2CYP17A1
SCHEMBL8554100 0.64 SRD5A1 (0.39) SRD5A1SRD5A2TRPV1CYP11B1CYP11B2
SCHEMBL1098492 0.64 CYP11B2 (0.40) SRD5A1SRD5A2CYP11B1CYP11B2CYP17A1

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-0623614-B1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1998-02-25 EP claimed