SCHEMBL8308653

SCHEMBL8308653

CC(C)(C)NC(=O)c1nocc1OC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.34
ALDH1A1 P00352 5/20 0.33
EPHX1 P07099 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
LMNA P02545 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8305864 0.87 KDM4E (0.33) RIPK1ALDH1A1KDM4EGAAHPGD
SCHEMBL8308129 0.78
SCHEMBL2696901 0.76 ALDH1A1 (0.44) RIPK1ALDH1A1EPHX1KDM4EGLA
SCHEMBL8957108 0.74 DPP4 (0.34) RIPK1ALDH1A1KDM4EGLAGAA
SCHEMBL933947 0.73 ALDH1A1 (0.41) RIPK1ALDH1A1EPHX1KDM4EGLA
SCHEMBL9216232 0.72 RIPK1 (0.39) RIPK1ALDH1A1KDM4EGLAGAA
SCHEMBL9203070 0.70 GABRA5 (0.38) RIPK1ALDH1A1LMNAL3MBTL1
SCHEMBL755172 0.70 CHRNA4 (0.33) KDM4EL3MBTL1
SCHEMBL8304861 0.69 MEN1 (0.31) L3MBTL1
SCHEMBL9204335 0.68 ALDH1A1 (0.36) RIPK1ALDH1A1KDM4EGLAGAA

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-0638074-B1 ISOXAZOLE CARBOXYLIC ACID AMIDES, PROCESS FOR PRODUCING THEM AND THEIR USE BASF AG (DE) 1999-03-31 EP disclosed
EP-0638074-A1 ISOXAZOLE CARBOXYLIC ACID AMIDES, PROCESS FOR PRODUCING THEM AND THEIR USE BASF Aktiengesellschaft (DE) 1995-02-15 EP disclosed
WO-1993022295-A1 ISOXAZOLE CARBOXYLIC ACID AMIDES, PROCESS FOR PRODUCING THEM AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 WO disclosed