SCHEMBL11076190

SCHEMBL11076190

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.61
▸ SLC22A6 Q4U2R8 2/20 0.61
▸ SLC22A8 Q8TCC7 2/20 0.61
▸ PDE3A Q14432 1/20 0.61
▸ SLC22A11 Q9NSA0 1/20 0.61
▸ HSD17B10 Q99714 6/20 0.61
▸ THRB P10828 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ ALDH1A1 P00352 5/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ TDP1 Q9NUW8 4/20 0.60
▸ SLC15A2 Q16348 3/20 0.60
▸ CYP3A4 P08684 3/20 0.60
▸ HPGD P15428 3/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ CYP2C19 P33261 2/20 0.60
▸ BLM P54132 1/20 0.60
▸ ADRA1A P35348 1/20 0.60
▸ HTR2B P41595 1/20 0.60
▸ MEN1 O00255 3/20 0.52

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
SCHEMBL11076195 1.00 MAPT (0.61) MAPTSLC22A6SLC22A8PDE3ASLC22A11
SCHEMBL11596186 0.94 HSD17B10 (0.60) MAPTSLC22A6SLC22A8PDE3ASLC22A11
SCHEMBL11078730 0.88 ALDH1A1 (0.59) MAPTSLC22A6SLC22A8PDE3ASLC22A11
SCHEMBL11078732 0.88 ALDH1A1 (0.59) MAPTSLC22A6SLC22A8PDE3ASLC22A11
SCHEMBL11078000 0.87 MAPT (0.51) MAPTSLC22A6SLC22A8PDE3ASLC22A11
SCHEMBL11078002 0.87 MAPT (0.51) MAPTSLC22A6SLC22A8PDE3ASLC22A11
Water SCHEMBL11521055 0.86 PTGS1 (0.65) MAPTSLC22A6SLC22A8PDE3ASLC22A11
SCHEMBL11597320 0.86 HSD17B10 (0.63) MAPTSLC22A6SLC22A8HSD17B10ALDH1A1
SCHEMBL11082683 0.86 MAPT (0.52) MAPTSLC22A6SLC22A8PDE3ASLC22A11
SCHEMBL11082688 0.86 MAPT (0.52) MAPTSLC22A6SLC22A8PDE3ASLC22A11

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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