SCHEMBL8839293

SCHEMBL8839293

CCOC(=O)c1ccc(NC(=O)C(CO)CO)cc1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.81
SMN1; SMN2 Q16637 7/20 0.63
ALDH1A1 P00352 5/20 0.63
TSHR P16473 2/20 0.60
HTT P42858 1/20 0.60
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
GAA P10253 4/20 0.58
NPC1 O15118 3/20 0.58
MAPT P10636 2/20 0.58
CASP3 P42574 1/20 0.58
TRPV1 Q8NER1 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
TP53 P04637 1/20 0.58
POLB P06746 1/20 0.58
KDM4E B2RXH2 2/20 0.57
NPSR1 Q6W5P4 1/20 0.56
HPGD P15428 2/20 0.54
RECQL P46063 1/20 0.54

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
SCHEMBL12199536 0.87 RAB9A (0.69) RAB9ASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL8887757 0.84 RAB9A (0.75) RAB9ASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL2840873 0.83 TSHR (0.74) RAB9ASMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL10627841 0.82 RAB9A (0.71) RAB9ASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL31323285 0.82 RAB9A (0.71) RAB9ASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL1104176 0.82 RAB9A (0.76) RAB9ASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL8839398 0.80 RAB9A (0.57) RAB9ASMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL9422337 0.80 SMN1; SMN2 (0.73) RAB9ASMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL2157944 0.79 RAB9A (0.59) RAB9ASMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL4289783 0.79 HPGD (0.71) RAB9ASMN1; SMN2ALDH1A1TSHRMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650428-A THROMBOXANE A2 ANTAGONISM NKK CORPORATION (JP) 1997-07-22 US disclosed