SCHEMBL9577271

SCHEMBL9577271

O=C(O)C(=O)C1(c2ccc(Cl)cc2)CCCC1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.62
HSD11B1 P28845 14/20 0.61
ALDH1A1 P00352 2/20 0.56
AKR1C1 Q04828 1/20 0.48
HDAC1 Q13547 1/20 0.48
MAP4K4 O95819 1/20 0.46

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
SCHEMBL503762 0.85 AKR1C1 (0.68) HDAC4HSD11B1ALDH1A1AKR1C1HDAC1
SCHEMBL694700 0.83 AKR1C1 (0.66) HDAC4HSD11B1ALDH1A1AKR1C1HDAC1
Hydrochloric Acid SCHEMBL5741878 0.83 AKR1C1 (0.66) HDAC4HSD11B1ALDH1A1AKR1C1HDAC1
SCHEMBL6673357 0.82 AKR1C1 (0.70) HDAC4HSD11B1ALDH1A1AKR1C1HDAC1
SCHEMBL9577294 0.81 AKR1C1 (0.48) HDAC4HSD11B1ALDH1A1AKR1C1
SCHEMBL6672119 0.81 AKR1C1 (0.68) HDAC4HSD11B1ALDH1A1AKR1C1HDAC1
SCHEMBL1794 0.81 AKR1C1 (0.62) HDAC4HSD11B1ALDH1A1AKR1C1HDAC1
SCHEMBL1627734 0.81 HDAC4 (0.66) HDAC4HSD11B1ALDH1A1AKR1C1HDAC1
SCHEMBL4805246 0.79 HDAC4 (0.64) HDAC4HSD11B1ALDH1A1AKR1C1HDAC1
SCHEMBL5862774 0.79 HDAC4 (0.64) HDAC4HSD11B1ALDH1A1AKR1C1HDAC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407588-B1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEM RES (JP) 1993-12-08 EP disclosed
US-5028738-A Process for producing 2-oxo-3-aromatic carboxylic acid derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-07-02 US disclosed
EP-0407588-A1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-16 EP disclosed