SCHEMBL8554102

SCHEMBL8554102

CN1C(=O)CCc2ccc(F)[c]c21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.40
SRD5A2 P31213 1/20 0.34
CYP1A2 P05177 2/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
TRPV1 Q8NER1 2/20 0.31
TRIM24 O15164 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
SCHEMBL23607324 0.77 CYP11B1 (0.36) SRD5A1SRD5A2CYP1A2CYP11B1CYP11B2
SCHEMBL8555270 0.70 SRD5A1 (0.45) SRD5A1SRD5A2CYP1A2CYP11B1CYP11B2
SCHEMBL23607328 0.70 MEN1 (0.35)
SCHEMBL8553871 0.68 SRD5A1 (0.46) SRD5A1SRD5A2CYP1A2CYP11B1CYP11B2
SCHEMBL8556641 0.67 SRD5A1 (0.55) SRD5A1CYP1A2CYP11B1CYP11B2CYP17A1
SCHEMBL8554100 0.64 SRD5A1 (0.39) SRD5A1SRD5A2CYP1A2CYP11B1CYP11B2
SCHEMBL21820215 0.64 SRD5A1 (0.39) SRD5A1SRD5A2CYP1A2CYP11B1CYP11B2
SCHEMBL10890659 0.64 TRIM24 (0.46) SRD5A1SRD5A2CYP1A2CYP11B1CYP11B2
SCHEMBL8553869 0.62 SRD5A1 (0.37) SRD5A1SRD5A2CYP11B1CYP11B2
SCHEMBL8556558 0.62 SRD5A1 (0.44) SRD5A1SRD5A2CYP1A2CYP11B1CYP11B2

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