SCHEMBL5860193

SCHEMBL5860193

C[C@](Br)(C(=O)O)[C@H](O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.48
LMNA P02545 3/20 0.45
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
HPGD P15428 1/20 0.41
RIPK1 Q13546 1/20 0.41
ATM Q13315 1/20 0.41
SLC6A4 P31645 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL60356 0.83 AOC3 (0.57) AOC3LMNACES2CES1MAPK1
SCHEMBL9683893 0.83 AOC3 (0.57) AOC3LMNACES2CES1MAPK1
SCHEMBL16654109 0.79 AOC3 (0.48) AOC3LMNACES2CES1MAPK1
SCHEMBL6874332 0.79 AOC3 (0.48) AOC3LMNACES2CES1MAPK1
SCHEMBL28369056 0.79 AOC3 (0.48) AOC3LMNACES2CES1MAPK1
SCHEMBL11779395 0.79 CES2 (0.48) LMNACES2CES1MAPK1L3MBTL1
SCHEMBL4976204 0.79 AOC3 (0.48) AOC3LMNACES2CES1MAPK1
SCHEMBL17093303 0.79 AOC3 (0.48) AOC3LMNACES2CES1MAPK1
SCHEMBL28364860 0.79 AOC3 (0.48) AOC3LMNACES2CES1MAPK1
SCHEMBL3109358 0.78 AOC3 (0.52) AOC3LMNACES2CES1MAPK1

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-7060471-B2 Stereoselective chemoenzymatic process for the preparation of optically enriched phenylglycidates as precursors of taxol side chain COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2006-06-13 US disclosed