SCHEMBL7301440

SCHEMBL7301440

COc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.78
TP53 P04637 3/20 0.78
MAPT P10636 2/20 0.78
NR1H4 Q96RI1 2/20 0.68
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
PKM P14618 3/20 0.66
ALDH1A1 P00352 2/20 0.66
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
HDAC3 O15379 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
NQO2 P16083 1/20 0.61
CASP3 P42574 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
USP2 O75604 1/20 0.61
TRPV1 Q8NER1 1/20 0.60
KDR P35968 1/20 0.60

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
SCHEMBL9696412 0.93 NR1H4 (0.77) SMN1; SMN2TP53MAPTNR1H4ALDH1A1
SCHEMBL27775817 0.89 KMT2A (0.64) SMN1; SMN2TP53MAPTNR1H4MEN1
SCHEMBL2814444 0.88 KMT2A (0.62) SMN1; SMN2TP53MAPTNR1H4MEN1
SCHEMBL2815596 0.85 KMT2A (0.60) SMN1; SMN2TP53MAPTNR1H4MEN1
SCHEMBL2816013 0.85 MEN1 (0.60) SMN1; SMN2TP53MAPTNR1H4MEN1
SCHEMBL2816734 0.85 MAPT (0.62) SMN1; SMN2TP53MAPTNR1H4MEN1
SCHEMBL27775777 0.85 MEN1 (0.60) SMN1; SMN2TP53MAPTNR1H4MEN1
SCHEMBL2814428 0.85 KMT2A (0.60) SMN1; SMN2TP53MAPTNR1H4MEN1
SCHEMBL15480650 0.85 MEN1 (0.70) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL2814413 0.84 MEN1 (0.76) SMN1; SMN2TP53MAPTMEN1KMT2A

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-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed