SCHEMBL7301532

SCHEMBL7301532

CCOC(=O)COc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
LMNA P02545 4/20 0.70
TRPV1 Q8NER1 3/20 0.57
POLB P06746 2/20 0.57
NPC1 O15118 4/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
RAB9A P51151 3/20 0.55
TP53 P04637 1/20 0.55
HDAC3 O15379 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
CXCR1 P25024 1/20 0.54
CXCR2 P25025 1/20 0.54
NR1H4 Q96RI1 2/20 0.52
KMT2A Q03164 1/20 0.52
EPHX2 P34913 1/20 0.52

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
SCHEMBL22192691 0.92 NPC1 (0.65) MAPTSMN1; SMN2LMNAPOLBNPC1
SCHEMBL22192234 0.87 NPC1 (0.59) MAPTSMN1; SMN2LMNAPOLBNPC1
SCHEMBL7294882 0.87 MAPT (0.65) MAPTSMN1; SMN2LMNATRPV1POLB
SCHEMBL7302201 0.87 NPC1 (0.74) MAPTSMN1; SMN2LMNATRPV1POLB
SCHEMBL12412550 0.87 SMN1; SMN2 (0.65) MAPTSMN1; SMN2LMNAPOLBKDM4E
SCHEMBL22192244 0.85 MAPT (0.57) MAPTSMN1; SMN2LMNAPOLBNPC1
SCHEMBL22192245 0.85 NPC1 (0.60) MAPTSMN1; SMN2LMNAPOLBNPC1
SCHEMBL7302398 0.84 SMN1; SMN2 (0.72) MAPTSMN1; SMN2LMNATRPV1NPC1
SCHEMBL21588706 0.82 MEN1 (0.64) MAPTLMNATRPV1POLBNPC1
SCHEMBL9695914 0.82 MAPT (0.73) MAPTSMN1; SMN2LMNATRPV1NPC1

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-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
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 EP disclosed