SCHEMBL11081231

SCHEMBL11081231

CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C(C(=O)OCc4ccc5ccccc5c4)=C(C)C(=[N+]=[N-])[S@+]([O-])[C@@H]23)c2ccccc2)C(=O)C1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ SLC22A6 Q4U2R8 1/20 0.39
▸ SLC22A8 Q8TCC7 1/20 0.39
▸ SLC22A11 Q9NSA0 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ LMNA P02545 1/20 0.34
▸ CTSB P07858 2/20 0.33
▸ CTSS P25774 2/20 0.33
▸ CTSK P43235 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CCKBR P32239 1/20 0.33
▸ PLCG1 P19174 1/20 0.30
▸ CTSL P07711 1/20 0.30

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
SCHEMBL11081225 1.00 MAPT (0.39) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11078089 0.88 MAPT (0.40) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11078086 0.88 MAPT (0.40) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11077758 0.87 MAPT (0.40) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11079896 0.87 MAPT (0.39) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11079900 0.87 MAPT (0.39) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11077761 0.84 MAPT (0.48) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11104006 0.81 CTSB (0.33) CTSBCTSSCTSKPLCG1
SCHEMBL11082688 0.81 MAPT (0.52) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11082683 0.81 MAPT (0.52) MAPTPDE3ASLC22A6SLC22A8SLC22A11

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-0040494-B1 CARBAPENAMS AND CARBAPEN-2-EMS AND PROCESS THEREFOR PFIZER INC. (US) 1984-02-15 — — EP disclosed
US-4429128-A CARBAPENICILLINS, THIENAMYCINS, BACTERICIDES PFIZER INC. (US) 1984-01-31 — — US disclosed
US-4348264-A Photocatalyzed process for producing carbapenams and carbapen-2-ems PFIZER INC. (US) 1982-09-07 — — US disclosed
EP-0040494-A1 Carbapenams and carbapen-2-ems and process therefor PFIZER INC. (US) 1981-11-25 — — EP disclosed
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