SCHEMBL7344160

SCHEMBL7344160

CCC(C(=O)Oc1ccc(SCC(C)(C)C(=O)O)cc1)c1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 5/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41

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
SCHEMBL7345565 0.87 MEN1 (0.45) MAPTKMT2AMEN1POLBKDM4E
SCHEMBL7344631 0.75 KEAP1 (0.37) KMT2AMEN1NPC1RAB9ATSHR
SCHEMBL825452 0.72 NPC1 (0.58) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL7349642 0.72 HDAC3 (0.60) MAPTKMT2AMEN1POLBNPC1
SCHEMBL825380 0.70 NPC1 (0.58) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL7344824 0.70 L3MBTL1 (0.47) MAPTKMT2AMEN1POLBKDM4E
SCHEMBL13969434 0.69 RAB9A (0.70) MAPTKMT2AMEN1POLBNPC1
SCHEMBL31261390 0.68 KMT2A (0.61) MAPTKMT2AMEN1POLBNPC1
SCHEMBL19182818 0.68 L3MBTL1 (0.56) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL155788 0.68 L3MBTL1 (0.56) MAPTKMT2AMEN1KDM4EGAA

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
US-5663416-A ENZYME INHIBITORS AS ANTIINFLAMMATORY AGENTS OR DERMATITIS TREATMENT CORTECH INC. 1997-09-02 US disclosed
US-5214191-A OXIDANT SENSITIVE AND INSENSITIVE AROMATIC ESTERS AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE CORTECH, INC. (US) 1993-05-25 US disclosed
EP-0465802-A1 Oxidant sensitive and insensitive aromatic esters as inhibitors of human neutrophil elastase CORTECH, INC. (US) 1992-01-15 EP disclosed