SCHEMBL11075604

SCHEMBL11075604

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

nearest known ligand 0.48

Predicted protein targets (top 19)

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 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CCKBR P32239 1/20 0.36
▸ PTGS1 P23219 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL11082353 0.93 MAPT (0.40) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11081851 0.89 ALDH1A1 (0.41) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11079900 0.87 MAPT (0.39) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11079896 0.87 MAPT (0.39) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11077758 0.86 MAPT (0.40) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11078000 0.85 MAPT (0.51) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11078002 0.85 MAPT (0.51) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11080033 0.84 CTSS (0.40) TSHRPTGS1USP2CYP3A4CHRM1
SCHEMBL11075606 0.83 MAPT (0.47) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11078261 0.80 CYP3A4 (0.38) MAPTHSD17B10TDP1LMNAMEN1

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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