SCHEMBL9507040

SCHEMBL9507040

CC(C)Cc1ccc(C(C)Oc2ccc(C(=O)Nc3c(O)cccc3[N+](=O)[O-])cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
KCNMA1 Q12791 1/20 0.41
PTGS2 P35354 1/20 0.39
SRD5A1 P18405 3/20 0.39
SRD5A2 P31213 3/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PLK1 P53350 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
FFAR1 O14842 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL9504945 0.84 SRD5A2 (0.51) RAB9ANPC1SMN1; SMN2SRD5A1SRD5A2
SCHEMBL9504954 0.84 SRD5A2 (0.51) RAB9ANPC1SMN1; SMN2SRD5A1SRD5A2
SCHEMBL5402070 0.77 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL9504949 0.71 NPC1 (0.46) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL9597497 0.71 FFAR1 (0.56) KMT2APTGS2SRD5A1SRD5A2FFAR1
SCHEMBL9336515 0.71 FFAR1 (0.56) KMT2APTGS2SRD5A1SRD5A2FFAR1
SCHEMBL9340219 0.70 FFAR1 (0.51) PTGS2SRD5A1SRD5A2FFAR1FAAH
SCHEMBL9340222 0.70 FFAR1 (0.51) PTGS2SRD5A1SRD5A2FFAR1FAAH
SCHEMBL1137359 0.68 PTPN11 (0.54) RAB9ANPC1MEN1KMT2AKCNMA1
SCHEMBL3407216 0.68 NLRP3 (0.56) RAB9ANPC1SMN1; SMN2MAPTMEN1

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
JP-5140062-A None JP disclosed
JP-H05140062-A BENZOYLAMINOPHENOXY BUTANOATE DERIVATIVE AND MEDICAL DRUG CONTAINING THE SAME COMPOUND ONO PHARMACEUT CO LTD 1993-06-08 JP disclosed