SCHEMBL25626567

SCHEMBL25626567

CCCCOC(=O)C(I)CC(CCC(CC(I)C(=O)OCCCC)C(=O)OCC)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CPB2 Q96IY4 2/20 0.40
ATM Q13315 1/20 0.38
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR1 P03372 3/20 0.34
HCAR2 Q8TDS4 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NAAA Q02083 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33

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
SCHEMBL2865591 0.82 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDCA1
SCHEMBL2865563 0.82 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDESR1
SCHEMBL25626568 0.81 ALDH1A1 (0.40) ALDH1A1CPB2ATMTSHRHPGD
SCHEMBL25626569 0.81 ALDH1A1 (0.40) ALDH1A1CPB2ATMTSHRHPGD
SCHEMBL2868296 0.77 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDCA1
SCHEMBL21811494 0.77 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDCA1
SCHEMBL27738028 0.76 SLC1A2 (0.50) ALDH1A1CPB2ATMTSHRHPGD
SCHEMBL6817900 0.75 CA2 (0.44) ALDH1A1CPB2ATMTSHRCA1
SCHEMBL21811527 0.75 ATM (0.54) ALDH1A1ATMTSHRHPGDCA1
SCHEMBL25626566 0.75 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDCA1

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-11667790-B2 Polymer having reactive silicon-containing group and production method therefor SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-06-06 US disclosed