SCHEMBL5861489

SCHEMBL5861489

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.51
PIN1 Q13526 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 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
SCHEMBL27638557 1.00 MMP8 (0.51) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL6579990 0.84 MMP8 (0.53) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL9629339 0.83 MMP8 (0.51) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL14130590 0.82 MMP8 (0.54) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL4637554 0.82 KMT2A (0.58) MEN1KMT2AMAPTTSHRPOLB
SCHEMBL23342965 0.82 MMP8 (0.54) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL606117 0.82 MMP8 (0.54) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL5860188 0.82 KMT2A (0.58) MEN1KMT2AMAPTTSHRPOLB
SCHEMBL9126861 0.82 MMP8 (0.54) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL11938487 0.82 MMP8 (0.54) MMP8PIN1MEN1NPC1KMT2A

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