SCHEMBL8631052

SCHEMBL8631052

O=C(O)CCc1[c][nH]nn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 2/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
FFAR1 O14842 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHRM1 P11229 1/20 0.33
P4HTM Q9NXG6 1/20 0.32
APEX1 P27695 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
NAALAD2 Q9Y3Q0 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL8627216 0.87 HDAC3 (0.41) ALDH1A1LMNANPSR1SLC22A6HSD17B10
SCHEMBL22815120 0.67 LMNA (0.44) KEAP1ALDH1A1LMNAALKBH5SUCNR1
SCHEMBL2704416 0.65 CHRM1 (0.39) KEAP1ALDH1A1LMNAALKBH5SUCNR1
SCHEMBL2433629 0.65 NAALAD2 (0.56) ALDH1A1LMNANAALAD2
SCHEMBL7112238 0.62 LMNA (0.44) KEAP1LMNAALKBH5SUCNR1EGLN1
Succinic Acid SCHEMBL24696 0.57 LMNA (1.00) LMNAALKBH5SUCNR1EGLN1NPSR1
Succinic Acid SCHEMBL21867134 0.57 LMNA (1.00) LMNAALKBH5SUCNR1EGLN1NPSR1
Succinic Acid SCHEMBL829 0.57
Succinic Acid SCHEMBL3799615 0.57
Succinic Acid SCHEMBL4269135 0.57 LMNA (1.00) LMNAALKBH5SUCNR1EGLN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4399131-A Cephem derivatives HOECHST AG (DE) 1983-08-16 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed