SCHEMBL7446899

SCHEMBL7446899

CC(C)CC(NC(=O)OC(C)(C)C)C(O)CSc1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.46
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
XBP1 P17861 1/20 0.45
ALDH1A1 P00352 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BACE1 P56817 3/20 0.41
REN P00797 2/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL7433466 0.88 BACE1 (0.48) MEN1KMT2ABACE1REN
SCHEMBL10724182 0.84 CTSB (0.45) MEN1KMT2ABACE1RENCTSS
SCHEMBL6577028 0.78 KLK5 (0.47) ALDH1A1CA1CA2CA7CTSS
SCHEMBL3863441 0.76 ALDH1A1 (0.56) AAK1MAPTGAAALDH1A1MEN1
SCHEMBL7437679 0.76 PPARG (0.58) MEN1KMT2ABACE1REN
SCHEMBL10422496 0.75 CA1 (0.40) CA1CA2CA7MEN1KMT2A
SCHEMBL10422711 0.73 CA1 (0.40) LMNAGAACA1CA2CA7
SCHEMBL10982144 0.73 CA1 (0.57) GAACA1CA2CA7BACE1
SCHEMBL7364723 0.73 CA1 (0.57) CA1CA2CA7BACE1REN
SCHEMBL12018725 0.73 CA1 (0.57) CA1CA2CA7BACE1REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 US disclosed
US-4645759-A HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1987-02-24 US disclosed
EP-0172347-A2 Renin inhibiting compounds ABBOTT LABORATORIES (US) 1986-02-26 EP disclosed