SCHEMBL6045641

SCHEMBL6045641

CCN(C(=O)O)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
HSD17B10 Q99714 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP1A2 P05177 1/20 0.48
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
HPGD P15428 1/20 0.45
MAPT P10636 2/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CPA1 P15085 2/20 0.43
CPA3 P15088 2/20 0.43
FOLH1 Q04609 1/20 0.43
CPB1 P15086 1/20 0.43

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
SCHEMBL547221 1.00 LMNA (0.49) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL547202 1.00 LMNA (0.49) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL7270975 0.85 ALDH1A1 (0.49) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL7454025 0.84 LMNA (0.41) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL6950934 0.84 LMNA (0.41) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL6950145 0.84 LMNA (0.41) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL7452372 0.84 LMNA (0.41) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL7298422 0.84 CPA1 (0.45) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL623615 0.83 CYP1A2 (0.42) ALDH1A1POLBHSD17B10L3MBTL1CYP1A2
SCHEMBL1063981 0.82 CYP1A2 (0.52) LMNAALDH1A1POLBHSD17B10L3MBTL1

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-20060105375-A1 Bioretrosynthetic methods for preparing products and compositions related thereto VANDERBILT UNIVERSITY 2006-05-18 US disclosed