SCHEMBL6809013

SCHEMBL6809013

O=[C]Cc1ccc(CCn2cncc2-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.52
CYP11B2 P19099 12/20 0.52
IDO1 P14902 3/20 0.52
HPGDS O60760 1/20 0.43
APP P05067 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL7260732 0.86 CYP11B1 (0.56) CYP11B1CYP11B2IDO1HPGDSAPP
SCHEMBL1501884 0.85 CYP11B1 (0.70) CYP11B1CYP11B2IDO1HPGDSAPP
SCHEMBL7260734 0.85 CYP11B1 (0.54) CYP11B1CYP11B2IDO1HPGDSAPP
SCHEMBL1951380 0.77 CYP11B1 (0.66) CYP11B1CYP11B2IDO1HPGDS
SCHEMBL15358470 0.76 CYP11B1 (0.56) CYP11B1CYP11B2IDO1HPGDSAPP
SCHEMBL1502108 0.75 CYP11B1 (0.62) CYP11B1CYP11B2IDO1HPGDS
SCHEMBL15358472 0.74 HSP90AA1 (0.45) CYP11B1CYP11B2IDO1HPGDSAPP
SCHEMBL6650781 0.73 CYP11B1 (0.52) CYP11B1CYP11B2IDO1HPGDSAPP
SCHEMBL6809012 0.73 ALDH1A1 (0.45) CYP11B1CYP11B2IDO1
SCHEMBL3969041 0.72 CYP11B1 (0.75) CYP11B1CYP11B2IDO1HPGDS

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-6770647-B2 Bicyclic hydroxamates as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-03 US disclosed
WO-2003016248-A2 BICYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$G(A) CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY PATENT DEPARTMENT (US) 2003-02-27 WO disclosed