SCHEMBL11311155

SCHEMBL11311155

O=CC(=O)c1ccccc1Sc1ccccc1C(=O)C=O.c1cc2ccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ SLC6A3 Q01959 2/20 0.40
▸ POLB P06746 2/20 0.39
▸ CDC25B P30305 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 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
SCHEMBL11311158 0.82 ACMSD (0.46) ALDH1A1TDP1MAPK1CDC25BATM
SCHEMBL11312016 0.78 CDC25B (0.52) ALDH1A1TDP1MAPK1CDC25BATM
SCHEMBL420969 0.76 ALDH1A1 (0.59) ALDH1A1TDP1MAPK1KDM4EMAPT
SCHEMBL29165406 0.76 AKT1 (0.48) ALDH1A1TDP1MAPK1SIRT1SLC6A2
SCHEMBL11313049 0.73 HTT (0.44) ALDH1A1TDP1MAPK1SLC6A4SLC6A3
SCHEMBL11322841 0.70 ALDH1A1 (0.39) ALDH1A1TDP1MAPK1CDC25BATM
SCHEMBL11724363 0.70 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1CDC25BATM
SCHEMBL1482567 0.70 POLB (0.74) ALDH1A1TDP1SIRT1POLBKDM4E
SCHEMBL29888792 0.70 POLB (0.74) ALDH1A1TDP1SIRT1POLBKDM4E
SCHEMBL9625706 0.69 AKR1C3 (0.59) ALDH1A1TDP1SIRT1POLBCDC25B

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-4304898-A HEAT RESIST METAL WIRE COATINGS INSTITUT FRANCAIS DU PETROLE (FR) 1981-12-08 — — US disclosed
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