SCHEMBL12601732

SCHEMBL12601732

CCC(=O)N(C)CCN(CCSCCC(=O)NCC(O)CO)C(=O)CC

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
HPGD P15428 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
SCHEMBL12601734 0.80 ALDH1A1 (0.38) ALDH1A1HPGD
SCHEMBL12601725 0.76 ALDH1A1 (0.46) ALDH1A1HPGD
SCHEMBL2735600 0.75 ALDH1A1 (0.42) ALDH1A1HPGD
SCHEMBL24714996 0.73 USP2 (0.33) ALDH1A1HPGD
SCHEMBL24714812 0.70 ALDH1A1 (0.41) ALDH1A1HPGD
SCHEMBL22853924 0.68 ALDH1A1 (0.44) ALDH1A1HPGD
SCHEMBL12601731 0.67 TDP1 (0.37) ALDH1A1HPGD
SCHEMBL24714504 0.66 ALDH1A1 (0.45) ALDH1A1HPGD
SCHEMBL4569676 0.66 ALDH1A1 (0.41) ALDH1A1HPGD
SCHEMBL15495583 0.66 ALDH1A1 (0.41) ALDH1A1HPGD

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-7943141-B2 Activated polyoxazolines and compositions comprising the same SERINA THERAPEUTICS, INC. (US) 2011-05-17 US disclosed
US-20100069579-A1 Activated Polyoxazolines and Compositions Comprising the Same SERINA THERAPEUTICS (AL), INC. 2010-03-18 US disclosed