SCHEMBL7146947

SCHEMBL7146947

COCSC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H](CCO)[C@H]2[C@H]1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR2A P28223 1/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
PAX8 Q06710 1/20 0.34

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
SCHEMBL14875145 0.83 PLCG1 (0.42) PLCG1HTTPOLBSMN1; SMN2L3MBTL1
SCHEMBL14875202 0.79 MAOB (0.43) PLCG1HTTPOLBSMN1; SMN2RAB9A
SCHEMBL14875135 0.78 MAOB (0.42) PLCG1HTTPOLBSMN1; SMN2RAB9A
SCHEMBL10757697 0.78 ELANE (0.42) PLCG1HTTPOLBSMN1; SMN2L3MBTL1
SCHEMBL10757693 0.78 ELANE (0.42) PLCG1HTTPOLBSMN1; SMN2L3MBTL1
SCHEMBL10757699 0.78 ELANE (0.42) PLCG1HTTPOLBSMN1; SMN2L3MBTL1
SCHEMBL884743 0.77 ALDH1A1 (0.38) PLCG1HTTPOLBSMN1; SMN2L3MBTL1
SCHEMBL4879120 0.77 ALDH1A1 (0.38) PLCG1HTTPOLBSMN1; SMN2L3MBTL1
SCHEMBL9198910 0.77 PLCG1 (0.42) PLCG1HTTPOLBSMN1; SMN2L3MBTL1
SCHEMBL8817335 0.76 PLCG1 (0.37) PLCG1POLBSMN1; SMN2L3MBTL1ALDH1A1

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
EP-1100800-B1 NOVEL C-2 S/O- AND S/N FORMALDEHYDE ACETAL DERIVATIVES OF CARBAPENEM-3-CARBOXYLIC ACIDS AND THEIR USE AS ANTIBIOTICS AND BETA-LACTAMASE INHIBITORS PFAENDLER HANS RUDOLF PROF (DE) 2003-06-25 EP disclosed