SCHEMBL3786569

SCHEMBL3786569

COc1cccc(CCC(=O)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
RAB9A P51151 1/20 0.53
GAA P10253 1/20 0.51
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
GLA P06280 1/20 0.49
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL1295923 0.82 MTNR1A (0.50) HDAC1HDAC6RAB9AMTNR1AMTNR1B
SCHEMBL29059722 0.82 HDAC1 (0.52) HDAC1HDAC6RAB9AMTNR1AMTNR1B
SCHEMBL3786487 0.82 HDAC2 (0.53) HDAC1HDAC6GAAALDH1A1HTT
SCHEMBL6204579 0.82 MTNR1A (0.58) RAB9AGAAMTNR1AMTNR1BALDH1A1
SCHEMBL11413236 0.79 HDAC6 (0.79) HDAC1HDAC6RAB9AGAAMTNR1A
SCHEMBL18089044 0.79 HDAC1 (0.62) HDAC1HDAC6RAB9AGAAMTNR1A
SCHEMBL12735813 0.79 ALDH1A1 (0.49) HDAC1HDAC6RAB9AMTNR1AMTNR1B
SCHEMBL645461 0.79 ALDH1A1 (0.49) HDAC1HDAC6RAB9AMTNR1AMTNR1B
SCHEMBL3418637 0.79 ALDH1A1 (0.62) RAB9AGAAALDH1A1HTTSMN1; SMN2
SCHEMBL17054177 0.78 HDAC1 (0.60) HDAC1HDAC6RAB9AGAAMTNR1A

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
WO-2010024762-A1 PREPARATION OF β-PHENYL-ISOSERINE DERIVATIVES ORGANOCLICK AKTIEBOLAG (SE) 2010-03-04 WO disclosed