SCHEMBL838494

SCHEMBL838494

CCc1ccccc1C(=O)NC(CC(C)C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRN P28799 3/20 0.52
SORT1 Q99523 3/20 0.52
MME P08473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CLPP Q16740 2/20 0.49
CA2 P00918 2/20 0.49
CA1 P00915 1/20 0.49
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
PGGT1B P53609 1/20 0.48
BCL2L1 Q07817 1/20 0.48
PYGL P06737 1/20 0.48

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
SCHEMBL30497600 0.85 GRN (0.54) GRNSORT1MMECLPPCA2
SCHEMBL12984129 0.85 CA2 (0.46) MMECA2CA1
SCHEMBL9829475 0.84 KDM4E (0.59) GRNSORT1MMECLPPCA2
SCHEMBL9829479 0.84 KDM4E (0.59) GRNSORT1MMECLPPCA2
SCHEMBL23638345 0.82 KDM4E (0.60) GRNSORT1MMECLPPCA2
SCHEMBL2669218 0.82 KDM4E (0.60) GRNSORT1MMECLPPCA2
SCHEMBL12984512 0.81 KDM4E (0.45) TDP1CA2CA1PYGL
SCHEMBL24344002 0.81 GRN (0.51) GRNSORT1MMECLPPCA2
SCHEMBL6244622 0.80 CASP1 (0.57) GRNSORT1FNTAFNTBPGGT1B
SCHEMBL2334402 0.80 UTS2R (0.42) CA1

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-8143052-B2 Process for preparing optically active (S or R)-α amino acid and (R or S)-α amino acid ester in one phase organic reaction medium UBE INDUSTRIES, LTD. (JP) 2012-03-27 US disclosed