SCHEMBL29071102

SCHEMBL29071102

CCOC(=O)CC1CCCCC1.[Ce]

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 6/20 0.44
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42
EPHX1 P07099 1/20 0.41
HPGD P15428 1/20 0.41
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL2779505 0.98 TDP1 (0.50) TDP1L3MBTL1ALDH1A1KMT2AGAA
SCHEMBL26914635 0.98 TDP1 (0.50) TDP1L3MBTL1ALDH1A1KMT2AGAA
SCHEMBL18797 0.98 TDP1 (0.50) TDP1L3MBTL1ALDH1A1KMT2AGAA
SCHEMBL9131994 0.98 TDP1 (0.50) TDP1L3MBTL1ALDH1A1KMT2AGAA
Cyclohexane SCHEMBL28249403 0.98 TDP1 (0.50) TDP1L3MBTL1ALDH1A1KMT2AGAA
SCHEMBL25311355 0.98 TDP1 (0.50) TDP1L3MBTL1ALDH1A1KMT2AGAA
SCHEMBL9134377 0.98 TDP1 (0.50) TDP1L3MBTL1ALDH1A1KMT2AGAA
SCHEMBL1439129 0.96 TDP1 (0.48) TDP1L3MBTL1ALDH1A1KMT2AGAA
Acetic Acid SCHEMBL17748838 0.92 TDP1 (0.47) TDP1L3MBTL1ALDH1A1KMT2AGAA
SCHEMBL1881523 0.92 ALDH1A1 (0.46) TDP1L3MBTL1ALDH1A1KMT2AGAA

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
CN-116761635-A BCL-XL inhibitor antibody drug conjugates and methods of use thereof 诺华股份有限公司 2023-09-15 CN disclosed