SCHEMBL7349642

SCHEMBL7349642

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.60
HDAC1 Q13547 4/20 0.60
HDAC2 Q92769 4/20 0.60
HDAC4 P56524 3/20 0.60
HDAC7 Q8WUI4 3/20 0.60
HDAC10 Q969S8 3/20 0.60
HDAC11 Q96DB2 3/20 0.60
HDAC8 Q9BY41 3/20 0.60
HDAC6 Q9UBN7 3/20 0.60
HDAC9 Q9UKV0 3/20 0.60
HDAC5 Q9UQL6 3/20 0.60
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
CRHBP P24387 2/20 0.57
CRHR2 Q13324 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 2/20 0.57
PTPN1 P18031 1/20 0.56

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
SCHEMBL7539973 0.85 GRIA4 (0.54) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2564961 0.83 NPC1 (0.71) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL7623651 0.83 LMNA (0.60) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL31357785 0.81 CRHBP (0.55) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL7708493 0.80 LMNA (0.56) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7708494 0.80 LMNA (0.56) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL8579300 0.80 NR1H4 (0.73) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL261231 0.80 KIF11 (0.54) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL28133906 0.79 MEN1 (0.57) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL2563194 0.79 NPC1 (0.68) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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 4 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
CN-1056680-A The preparation method who can be used as the 2-phenylalkanoic acid esters of human leukocytes elastase inhibitor CORTECH INC (US) 1991-12-04 CN disclosed