SCHEMBL9865073

SCHEMBL9865073

O=CN(CCCCCCCC(=O)Nc1cccc(C(=O)O)c1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54
HDAC2 Q92769 5/20 0.51
HDAC8 Q9BY41 5/20 0.51
HDAC6 Q9UBN7 5/20 0.51
HDAC1 Q13547 4/20 0.51
HDAC3 O15379 3/20 0.51
HDAC4 P56524 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
NR1H4 Q96RI1 3/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL9866202 0.99 SMN1; SMN2 (0.55) SMN1; SMN2HTTHDAC2HDAC8HDAC6
SCHEMBL9879969 0.96 SMN1; SMN2 (0.56) SMN1; SMN2HTTHDAC2HDAC8HDAC6
SCHEMBL9866706 0.81 SMN1; SMN2 (0.53) SMN1; SMN2HTTHDAC2HDAC8HDAC6
SCHEMBL7095566 0.79 HDAC2 (0.45) HDAC2HDAC8HDAC6HDAC1HDAC3
SCHEMBL7147082 0.78 SMN1; SMN2 (0.64) SMN1; SMN2HTTHDAC2HDAC8HDAC6
SCHEMBL9879981 0.77 MAPT (0.49) SMN1; SMN2HTTHDAC2HDAC8HDAC6
SCHEMBL6618522 0.77 MAPT (0.49) SMN1; SMN2HTTHDAC2HDAC8HDAC6
SCHEMBL8622951 0.76 ALOX5 (0.48) SMN1; SMN2HTTHDAC2HDAC8HDAC6
SCHEMBL9865066 0.76 HTT (0.57) SMN1; SMN2HTTHDAC2HDAC8HDAC6
SCHEMBL9866193 0.74 HTT (0.58) SMN1; SMN2HTTHDAC2HDAC8HDAC6

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-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed