SCHEMBL11077232

SCHEMBL11077232

CCOC(C)NC(=O)c1nc2cc(Cl)ccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.44
SENP7 Q9BQF6 2/20 0.44
FFAR2 O15552 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 2/20 0.42
ANO1 Q5XXA6 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
XDH P47989 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
AGPAT2 O15120 2/20 0.40

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
SCHEMBL10477441 0.80 CASP3 (0.43) CASP3SENP7FFAR2TP53MAPT
SCHEMBL11065324 0.77 MAPT (0.46) CASP3SENP7TP53MAPTANO1
SCHEMBL11077235 0.77 TP53 (0.46) CASP3SENP7TP53MAPTANO1
SCHEMBL10829015 0.76 MAOB (0.52) CASP3SENP7TP53MAPTANO1
SCHEMBL5095572 0.74 MEN1 (0.51) CASP3SENP7FFAR2TP53MAPT
SCHEMBL10829024 0.74 MAPT (0.56) CASP3SENP7FFAR2TP53MAPT
SCHEMBL27654631 0.73 MAPT (0.58) CASP3SENP7FFAR2TP53MAPT
SCHEMBL11076330 0.73 XDH (0.49) CASP3SENP7TP53MAPTNPSR1
SCHEMBL11065025 0.72 MAPT (0.43) CASP3SENP7FFAR2TP53MAPT
Eclazolast SCHEMBL636302 0.71 MEN1 (0.46) CASP3SENP7TP53MAPTANO1

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-4490373-A BENZOXAZOLE-2-CARBOXYLIC ACID AMIDES USV PHARMACEUTICAL CORPORATION (US) 1984-12-25 US claimed
EP-0127066-A2 Composition for treating asthma USV PHARMACEUTICAL CORPORATION (US) 1984-12-05 EP claimed
US-4490373-A BENZOXAZOLE-2-CARBOXYLIC ACID AMIDES USV PHARMACEUTICAL CORPORATION (US) 1984-12-25 US disclosed
EP-0127066-A2 Composition for treating asthma USV PHARMACEUTICAL CORPORATION (US) 1984-12-05 EP disclosed