SCHEMBL14588641

SCHEMBL14588641

O=C(O)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)CO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.59
MAPT P10636 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
ECE1 P42892 1/20 0.50
ACE P12821 1/20 0.49
LMNA P02545 2/20 0.49
SLC6A2 P23975 2/20 0.49
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
PKM P14618 1/20 0.48
P2RY14 Q15391 1/20 0.47
GAA P10253 1/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 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
SCHEMBL149555 0.89 ACE (0.57) CASP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL29986695 0.89 ACE (0.57) CASP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL468341 0.89 ACE (0.57) CASP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL29391753 0.89 ACE (0.57) CASP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6138173 0.83 P2RY14 (0.56) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6287655 0.82 HDAC1 (0.50) CASP1MAPTSMN1; SMN2ALDH1A1MMP2
SCHEMBL13278205 0.80 ALOX15 (0.70) MEN1KMT2AACEP2RY14HTT
SCHEMBL3728145 0.80 ALOX15 (0.70) MEN1KMT2AACEP2RY14HTT
SCHEMBL29987387 0.80 ALOX15 (0.70) MEN1KMT2AACEP2RY14HTT
SCHEMBL8525238 0.80 MEN1 (0.57) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1

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-7173039-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2007-02-06 US disclosed