SCHEMBL933947

SCHEMBL933947

CC(C)(C)NC(=O)c1conc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 3/20 0.38
APEX1 P27695 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
EPHX1 P07099 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RIPK1 Q13546 1/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL2696901 0.87 ALDH1A1 (0.44) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL158855 0.79 POLB (0.40) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL8957108 0.78 DPP4 (0.34) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL8595148 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2TSHR
SCHEMBL8308653 0.73 RIPK1 (0.34) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL8957126 0.69 NPC1 (0.42) ALDH1A1KDM4EPOLBAPEX1TSHR
SCHEMBL8305864 0.69 KDM4E (0.33) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL20483743 0.68 ACE2 (0.30) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL9284100 0.68 KDM4E (0.51) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL8957137 0.67 KDM4E (0.46) ALDH1A1KDM4EGAAHPGDMAPK1

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-2451808-A1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2012-05-16 EP disclosed
WO-2011003793-A1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2011-01-13 WO disclosed