SCHEMBL9182180

SCHEMBL9182180

CCOC(=O)c1ccc(NC(=O)c2ccc(C(=O)C(C)(C)C)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.72
NPC1 O15118 6/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
GAA P10253 2/20 0.72
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 1/20 0.59
PDK1 Q15118 1/20 0.58
PDK2 Q15119 1/20 0.58
PDK3 Q15120 1/20 0.58
PDK4 Q16654 1/20 0.58
TSHR P16473 3/20 0.57
MAPT P10636 4/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CASP3 P42574 1/20 0.56
TRPV1 Q8NER1 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 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
SCHEMBL5879030 0.89 RAB9A (0.88) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL10943445 0.89 RAB9A (0.88) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL9645677 0.87 RAB9A (0.74) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL2249088 0.86 CA1 (0.63) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9185209 0.85 RAB9A (0.70) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL9181995 0.84 SMN1; SMN2 (0.79) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL4724997 0.84 SMN1; SMN2 (1.00) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL9181179 0.82 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL6707294 0.82 RAB9A (0.76) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL9449917 0.82 RAB9A (0.76) RAB9ANPC1SMN1; SMN2GAAMEN1

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
US-5378728-A Benzoic acid derivatives as antidiabetic agents SANDOZ LTD. (CH) 1995-01-03 US claimed
US-5378728-A Benzoic acid derivatives as antidiabetic agents SANDOZ LTD. (CH) 1995-01-03 US disclosed