SCHEMBL9830868

SCHEMBL9830868

O=C(O)CCCCCC(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.53
CA1 P00915 1/20 0.53
FOLH1 Q04609 9/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HPGD P15428 1/20 0.51
C3AR1 Q16581 1/20 0.50
ITGB3 P05106 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
SCHEMBL5857603 0.98 CA2 (0.55) CA2CA1FOLH1TDP1LMNA
SCHEMBL5855561 0.94 CA2 (0.56) CA2CA1FOLH1TDP1LMNA
SCHEMBL16149959 0.94 CA2 (0.56) CA2CA1FOLH1TDP1LMNA
SCHEMBL16155818 0.94 CA2 (0.56) CA2CA1FOLH1TDP1LMNA
SCHEMBL715646 0.87 CA2 (0.67) CA2CA1FOLH1TDP1LMNA
SCHEMBL698067 0.87 CA2 (0.67) CA2CA1FOLH1TDP1LMNA
SCHEMBL97498 0.87 CA2 (0.67) CA2CA1FOLH1TDP1LMNA
SCHEMBL5856865 0.87 LMNA (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4618531 0.86 CA2 (0.65) CA2CA1FOLH1TDP1LMNA
Ammonia Solution, Strong SCHEMBL28375957 0.86 CA2 (0.65) CA2CA1FOLH1TDP1LMNA

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