SCHEMBL10399600

SCHEMBL10399600

CCCCCOC(=O)C(Cl)CCl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
EPHX1 P07099 1/20 0.46
TSHR P16473 4/20 0.44
ALDH1A1 P00352 2/20 0.43
HCAR2 Q8TDS4 2/20 0.43
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
FAAH O00519 1/20 0.41
LMNA P02545 1/20 0.41
ACHE P22303 2/20 0.40

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
SCHEMBL10400692 0.98 NAAA (0.52) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL10399596 0.98 NAAA (0.52) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL8925081 0.94 ALDH1A1 (0.50) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL21811619 0.86 NAAA (0.50) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL8925212 0.85 HCAR2 (0.38) NAAATSHRALDH1A1HCAR2NPSR1
SCHEMBL21811744 0.84 NAAA (0.53) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL21811480 0.84 NAAA (0.53) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL21811424 0.84 NAAA (0.53) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL21811624 0.84 NAAA (0.53) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL21811498 0.84 NAAA (0.53) NAAAEPHX1TSHRALDH1A1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4935527-A SEPARATION FROM IMPURITIES BY ION EXCHANGING ON A CATIONIC EXCHANGER BED RESEARCH ASSOCIATION FOR UTILIZATION OF LIGHT OIL (JP) 1990-06-19 US disclosed
EP-0191462-A1 Purification of aziridine-2-carboxylic acid salts RESEARCH ASSOCIATION FOR UTILIZATION OF LIGHT OIL (JP) 1986-08-20 EP disclosed