Sugi Predict

Sugi Predict / Compounds / SCHEMBL3880587

SCHEMBL3880587

SCHEMBL3880587

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)N(CC(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.39
▸ MME P08473 3/20 0.38
▸ ACE P12821 1/20 0.36

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
SCHEMBL11575487 0.74 CTSB (0.39) ACE
SCHEMBL30799577 0.74 MME (0.60) RENMME
SCHEMBL1674750 0.73 ALDH1A1 (0.53) MME
SCHEMBL18613505 0.73 ALDH1A1 (0.53) MME
SCHEMBL1674751 0.73 ALDH1A1 (0.53) MME
SCHEMBL8074243 0.73 GPR88 (0.44) —
SCHEMBL8074241 0.73 GPR88 (0.44) —
SCHEMBL8060317 0.70 MME (0.59) RENMMEACE
SCHEMBL21192611 0.70 ACE (0.57) RENMMEACE
SCHEMBL21192616 0.70 ACE (0.57) RENMMEACE

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
WO-2007090094-A3 THERMALLY-TARGETED DELIVERY OF MEDICAMENTS, INCLUDING DOXORUBICIN UNIV MISSISSIPPI MEDICAL CT (US) 2009-04-02 — — WO disclosed
EP-1981527-A2 THERMALLY-TARGETED DELIVERY OF MEDICAMENTS, INCLUDING DOXORUBICIN The University of Mississippi Medical Center (US) 2008-10-22 — — EP disclosed
WO-2007090094-A2 THERMALLY-TARGETED DELIVERY OF MEDICAMENTS, INCLUDING DOXORUBICIN THE UNIVERSITY OF MISSISSIPPI MEDICAL CENTER (US) 2007-08-09 — — WO disclosed