SCHEMBL9220655

SCHEMBL9220655

COC=C(C(=O)OC)c1csc2ccc(C)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
CA2 P00918 1/20 0.40
THRB P10828 2/20 0.37
USP2 O75604 1/20 0.37
NR4A2 P43354 1/20 0.35
TP53 P04637 5/20 0.35
POLB P06746 1/20 0.35
CHEK1 O14757 1/20 0.35
MET P08581 1/20 0.35
GSK3B P49841 1/20 0.35
LIMK1 P53667 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
RXFP1 Q9HBX9 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9312321 0.89 MAPT (0.42) MAPTCA2THRBUSP2NR4A2
SCHEMBL9212750 0.88 MAPT (0.41) MAPTCA2THRBUSP2NR4A2
SCHEMBL9220714 0.86 MTNR1A (0.47) MAPTNR4A2ALDH1A1NPC1RAB9A
SCHEMBL9211264 0.85 ALDH1A1 (0.34) MAPTPOLBCHEK1METGSK3B
SCHEMBL23987343 0.83 NR4A2 (0.40) MAPTNR4A2POLBALDH1A1MEN1
SCHEMBL9209687 0.83 TBXAS1 (0.36) MAPTTP53CHEK1METGSK3B
SCHEMBL9219061 0.82 MAPT (0.43) MAPTTP53ALDH1A1RECQLNPC1
SCHEMBL9218225 0.81 ALDH1A1 (0.37) MAPTPOLBALDH1A1NPC1RAB9A
SCHEMBL9312295 0.80 TBXAS1 (0.34) MAPTMEN1KMT2A
SCHEMBL9215423 0.79 PTK2 (0.36) MAPTMEN1KMT2A

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-0433233-B1 Heterocyclic compounds CIBA GEIGY AG (CH) 1995-01-25 EP disclosed
US-5376677-A Fungicides CIBA-GEIGY CORPORATION (US) 1994-12-27 US disclosed
EP-0433233-A1 Heterocyclic compounds CIBA-GEIGY AG (CH) 1991-06-19 EP disclosed