SCHEMBL11078732

SCHEMBL11078732

CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C(C(=O)OCC(Cl)(Cl)Cl)=C(C)CS[C@@H]23)c2ccccc2)C(=O)C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ MAPT P10636 2/20 0.52
▸ SLC22A6 Q4U2R8 2/20 0.52
▸ SLC22A8 Q8TCC7 2/20 0.52
▸ PDE3A Q14432 1/20 0.52
▸ SLC22A11 Q9NSA0 1/20 0.52
▸ HSD17B10 Q99714 4/20 0.52
▸ THRB P10828 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ TDP1 Q9NUW8 2/20 0.49
▸ KMT2A Q03164 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ SLC15A2 Q16348 2/20 0.47
▸ BLM P54132 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ HTR2B P41595 1/20 0.47

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
SCHEMBL11078730 1.00 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPTSLC22A6SLC22A8
SCHEMBL11081854 0.90 MAPT (0.48) ALDH1A1L3MBTL1MAPTSLC22A6SLC22A8
SCHEMBL11078002 0.89 MAPT (0.51) ALDH1A1L3MBTL1MAPTSLC22A6SLC22A8
SCHEMBL11078000 0.89 MAPT (0.51) ALDH1A1L3MBTL1MAPTSLC22A6SLC22A8
SCHEMBL11076190 0.88 MAPT (0.61) ALDH1A1MAPTSLC22A6SLC22A8PDE3A
SCHEMBL11076195 0.88 MAPT (0.61) ALDH1A1MAPTSLC22A6SLC22A8PDE3A
SCHEMBL11082683 0.86 MAPT (0.52) ALDH1A1L3MBTL1MAPTSLC22A6SLC22A8
SCHEMBL11082688 0.86 MAPT (0.52) ALDH1A1L3MBTL1MAPTSLC22A6SLC22A8
SCHEMBL11583071 0.86 ALDH1A1 (0.69) ALDH1A1L3MBTL1MAPTSLC22A6SLC22A8
SCHEMBL11583073 0.86 ALDH1A1 (0.69) ALDH1A1L3MBTL1MAPTSLC22A6SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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