SCHEMBL11204280

SCHEMBL11204280

O=C1c2cccc(OCc3ccccc3)c2CC1I

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
CRBN Q96SW2 1/20 0.49
IKZF3 Q9UKT9 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
BRD4 O60885 2/20 0.46
CREBBP Q92793 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TNKS2 Q9H2K2 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
PTGER1 P34995 4/20 0.44
PTGER4 P35408 2/20 0.44
PTGER3 P43115 2/20 0.44
PTGER2 P43116 2/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43

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
SCHEMBL30112286 0.78 HTT (0.56) HTTCRBNIKZF3L3MBTL1LMNA
SCHEMBL3629080 0.76 MRGPRX4 (0.62) HTTCRBNIKZF3L3MBTL1LMNA
SCHEMBL25835377 0.75 MAOA (0.46) HTTCRBNIKZF3L3MBTL1BRD4
SCHEMBL16072720 0.74 KCNA3 (0.58) HTTL3MBTL1BRD4MAPTMAPK1
SCHEMBL31297867 0.74 ACHE (0.70) LMNAMAPTPOLB
SCHEMBL29414837 0.74 MAPT (0.54) L3MBTL1BRD4CREBBPMAPTMAPK1
SCHEMBL22632886 0.74 MAPT (0.54) L3MBTL1BRD4CREBBPMAPTMAPK1
SCHEMBL5101144 0.73 MRGPRX4 (0.74) HTTCRBNIKZF3L3MBTL1LMNA
SCHEMBL31318410 0.73 MRGPRX4 (0.74) HTTCRBNIKZF3L3MBTL1LMNA
SCHEMBL9173435 0.73 KCNA3 (0.56) HTTL3MBTL1BRD4MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0080117-A2 The (R,R)-enantiomer of trans-indeno(1,2-b)-1,4-oxazines, process for its preparation and pharmaceutical formulation containing it MERCK & CO. INC. (US) 1983-06-01 EP disclosed