SCHEMBL11391409

SCHEMBL11391409

CC1=C(C(=O)OCOC(=O)C(C)(C)C=O)N2C(=O)C(NC(=O)C(C(=O)OC(c3ccccc3)c3ccccc3)c3ccccc3)[C@@H]2SC1=[N+]=[N-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.37
▸ PTGS1 P23219 3/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ ALDH1A1 P00352 7/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ HSD17B10 Q99714 5/20 0.34
▸ MAPT P10636 4/20 0.34
▸ HPGD P15428 4/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ SLC15A2 Q16348 2/20 0.34
▸ BLM P54132 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ LMNA P02545 3/20 0.32
▸ KDM4E B2RXH2 5/20 0.31
▸ MEN1 O00255 2/20 0.31

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
SCHEMBL11383381 0.92 ELANE (0.38) CYP3A4PTGS1USP2CHRM1ALDH1A1
SCHEMBL11078285 0.84 CYP3A4 (0.45) CYP3A4PTGS1USP2CHRM1ALDH1A1
SCHEMBL11386850 0.83 CTDSP1 (0.40) ALDH1A1L3MBTL1CYP2C19MAPK1LMNA
SCHEMBL11381175 0.81 MAPT (0.42) CYP3A4PTGS1USP2CHRM1ALDH1A1
SCHEMBL11079376 0.76 ALDH1A1 (0.44) CYP3A4PTGS1ALDH1A1L3MBTL1HSD17B10
SCHEMBL11084708 0.76 ALDH1A1 (0.53) CYP3A4PTGS1USP2CHRM1ALDH1A1
SCHEMBL11084713 0.76 ALDH1A1 (0.53) CYP3A4PTGS1USP2CHRM1ALDH1A1
SCHEMBL11077988 0.76 PTGS1 (0.37) CYP3A4PTGS1USP2CHRM1
SCHEMBL11077991 0.76 PTGS1 (0.37) CYP3A4PTGS1USP2CHRM1
SCHEMBL11078754 0.75 PTGS1 (0.44) CYP3A4PTGS1USP2CHRM1ALDH1A1

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-0040494-A1 Carbapenams and carbapen-2-ems and process therefor PFIZER INC. (US) 1981-11-25 — — EP disclosed
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