SCHEMBL587487

SCHEMBL587487

CCOC(=O)CC(=O)C1CCN(C(=O)OC)C(c2cccc(C(C)(C)C)c2)C1.COC(=O)N1CCC(C(=O)O)CC1c1cccc(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RIPK1 Q13546 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
KCNN4 O15554 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
GRM5 P41594 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL581242 0.96 ALDH1A1 (0.40) ALDH1A1TMEM97SIGMAR1MEN1KMT2A
SCHEMBL581795 0.92 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATRPV4KCNN4
SCHEMBL581796 0.92 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATRPV4KCNN4
SCHEMBL581709 0.89 RIPK1 (0.39) ALDH1A1MEN1KMT2ARIPK1GRM5
SCHEMBL580798 0.88 ALDH1A1 (0.49) ALDH1A1KMT2ATRPV4KCNN4
SCHEMBL3073129 0.88 ALDH1A1 (0.49) ALDH1A1KMT2ATRPV4KCNN4
SCHEMBL3062815 0.88 ALDH1A1 (0.49) ALDH1A1KMT2ATRPV4KCNN4
SCHEMBL586556 0.88 RIPK1 (0.40) ALDH1A1TMEM97SIGMAR1MEN1KMT2A
SCHEMBL581776 0.85 MEN1 (0.44) ALDH1A1MEN1KMT2ARIPK1L3MBTL1
SCHEMBL3076421 0.85 MEN1 (0.44) ALDH1A1MEN1KMT2ARIPK1L3MBTL1

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
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed