SCHEMBL6504398

SCHEMBL6504398

COC(=O)CC(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
ACE P12821 2/20 0.48
CA2 P00918 4/20 0.48
CA1 P00915 2/20 0.48
PTPN1 P18031 2/20 0.47
CTSG P08311 1/20 0.47
CTRB1 P17538 1/20 0.47
CTSL P07711 5/20 0.46
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
CTSB P07858 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45

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
SCHEMBL8211973 1.00 MEN1 (0.48) MEN1POLBKMT2AACECA2
SCHEMBL13868571 0.89 GAA (0.53) MEN1POLBKMT2ACA2CA1
SCHEMBL6048079 0.89 KMT2A (0.47) MEN1POLBKMT2ACTSGCTRB1
SCHEMBL29067682 0.89 GAA (0.53) MEN1POLBKMT2ACA2CA1
SCHEMBL4896289 0.89 GAA (0.53) MEN1POLBKMT2ACA2CA1
SCHEMBL5118660 0.88 CA2 (0.49) MEN1POLBKMT2ACA2CA1
SCHEMBL5210394 0.88 CA2 (0.49) MEN1POLBKMT2ACA2CA1
SCHEMBL6507992 0.86 CA2 (0.51) CA2CA1CTSLGAAALDH1A1
SCHEMBL5222859 0.86 KMT2A (0.51) MEN1POLBKMT2ACA2CA1
SCHEMBL14254899 0.84 HDAC3 (0.52) MEN1POLBKMT2ACTSLCTSS

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
US-7476742-B2 Indane acetic acid derivatives and their use as pharmaceutical agents BAYER PHARMACEUTICALS CORPORATION (US) 2009-01-13 US disclosed
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed