SCHEMBL9829475

SCHEMBL9829475

CC(C)CC(NC(=O)c1ccccc1O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 2/20 0.59
HPGD P15428 2/20 0.59
HSD17B10 Q99714 2/20 0.59
TSHR P16473 1/20 0.55
CA2 P00918 2/20 0.53
CA1 P00915 1/20 0.53
GRN P28799 3/20 0.53
SORT1 Q99523 3/20 0.53
MME P08473 1/20 0.51
CLPP Q16740 2/20 0.50
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
PGGT1B P53609 1/20 0.49
BCL2L1 Q07817 1/20 0.49

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
SCHEMBL9829479 1.00 KDM4E (0.59) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8897190 0.90 CA2 (0.52) ALDH1A1CA2CA1GRNSORT1
SCHEMBL15242488 0.87 HPGDS (0.54) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL30497600 0.86 GRN (0.54) CA2CA1GRNSORT1MME
SCHEMBL5803352 0.84 KDM4E (0.66) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL23638345 0.84 KDM4E (0.60) KDM4EALDH1A1CA2CA1GRN
SCHEMBL2669218 0.84 KDM4E (0.60) KDM4EALDH1A1CA2CA1GRN
SCHEMBL838494 0.84 GRN (0.52) CA2CA1GRNSORT1MME
SCHEMBL12983737 0.83 KDM4E (0.55) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL24344002 0.82 GRN (0.51) CA2CA1GRNSORT1MME

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed