SCHEMBL27267652

SCHEMBL27267652

C=CC(=O)CNC(=O)CNC(=O)CNC(=C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL27268038 0.78 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1TDP1
SCHEMBL18885172 0.76 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1TDP1
SCHEMBL8528459 0.74 TSHR (0.39) ALDH1A1TSHRMAPK1TDP1
Methoxymethane SCHEMBL8529527 0.72 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1TDP1
SCHEMBL15429197 0.71 MCL1 (0.45) TSHR
SCHEMBL12849273 0.69 TSHR (0.48) ALDH1A1TSHRMAPK1TDP1
SCHEMBL3055210 0.69 TSHR (0.59) ALDH1A1TSHRMAPK1TDP1
SCHEMBL4345550 0.69
SCHEMBL12838007 0.68 MEN1 (0.44) ALDH1A1TDP1
SCHEMBL18656588 0.68

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
WO-2024086826-A2 POLYPEPTIDYL LINKERS Quantum-Si Incorporated (US) 2024-04-25 WO disclosed