SCHEMBL7551101

SCHEMBL7551101

CCCCC(CC)C(=O)N1CC(=O)N(C(C)=O)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 8/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ CA1 P00915 5/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CA7 P43166 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32

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
SCHEMBL12220544 0.69 CA2 (0.46) CA2MAPK1CA1ALDH1A1LMNA
SCHEMBL21498824 0.67 ALDH1A1 (0.55) CA2MAPK1CA1ALDH1A1LMNA
SCHEMBL22783745 0.67 ALDH1A1 (0.55) CA2MAPK1CA1ALDH1A1LMNA
SCHEMBL25143850 0.67 ALDH1A1 (0.45) CA2MAPK1CA1ALDH1A1LMNA
SCHEMBL3164400 0.66 CA2 (0.67) CA2MAPK1CA1ALDH1A1LMNA
SCHEMBL12809910 0.66 CA2 (0.67) CA2MAPK1CA1ALDH1A1LMNA
SCHEMBL9142874 0.66 CA2 (0.67) CA2MAPK1CA1ALDH1A1LMNA
SCHEMBL21498799 0.66 ALDH1A1 (0.53) CA2MAPK1CA1ALDH1A1LMNA
SCHEMBL23691156 0.65 ALDH1A1 (0.56) CA2MAPK1CA1ALDH1A1LMNA
2-Ethylhexanoic Acid SCHEMBL18528789 0.65 CA2 (0.95) CA2MAPK1CA1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0932657-B1 ASYMMETRICAL BLEACH ACTIVATORS AND COMPOSITIONS EMPLOYING THE SAME PROCTER & GAMBLE (US) 2002-06-12 — — EP disclosed
US-6096098-A BIS(IMIDE) COMPOUNDS; LAUNDRY DETERGENTS: CLEANING, HARD SURFACE AND AUTOMATIC DISHWASHER COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2000-08-01 — — US disclosed
EP-0932657-A2 ASYMMETRICAL BLEACH ACTIVATORS AND COMPOSITIONS EMPLOYING THE SAME THE PROCTER & GAMBLE COMPANY (US) 1999-08-04 — — EP disclosed
WO-1998016609-A2 ASYMMETRICAL BLEACH ACTIVATORS AND COMPOSITIONS EMPLOYING THE SAME THE PROCTER & GAMBLE COMPANY (US) 1998-04-23 — — WO disclosed
Send feedback