Sugi Predict

Sugi Predict / Compounds / SCHEMBL5579956

SCHEMBL5579956

SCHEMBL5579956

CCc1cccc(CNC[C@@H](OC(=O)C(C)N2C(=O)c3ccccc3C2=O)[C@@H](N)Cc2cc(F)cc(F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 16/20 0.40
▸ CTSB P07858 10/20 0.40
▸ CTSD P07339 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5579957 1.00 BACE1 (0.40) BACE1CTSBCTSDALDH1A1USP2
SCHEMBL5579864 0.82 THRB (0.43) ALDH1A1MEN1KMT2A
SCHEMBL5130565 0.80 MEN1 (0.41) BACE1CTSBCTSDALDH1A1MEN1
SCHEMBL5130567 0.80 MEN1 (0.41) BACE1CTSBCTSDALDH1A1MEN1
SCHEMBL5130584 0.78 BACE1 (0.40) BACE1CTSBCTSD
SCHEMBL5124631 0.78 BACE1 (0.39) BACE1CTSBCTSD
SCHEMBL5124636 0.78 BACE1 (0.39) BACE1CTSBCTSD
SCHEMBL3350378 0.78 BACE1 (0.57) BACE1CTSBCTSD
SCHEMBL3350373 0.78 BACE1 (0.57) BACE1CTSBCTSD
SCHEMBL5127565 0.77 BACE1 (0.45) BACE1CTSBCTSD

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
US-7294642-B2 1,3-Diamino-2-hydroxypropane pro-drug derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-11-13 — — US claimed