SCHEMBL9219422

SCHEMBL9219422

C[C@@H](O)C(C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)C(N2C(=O)c3ccccc3C2=O)C1CO

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.35
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
KIF11 P52732 1/20 0.33
KMT2A Q03164 1/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL9219416 1.00 AVPR1A (0.35) AVPR1APOLBMAPTLMNATP53
SCHEMBL9219243 0.88 ACHE (0.39) MAPTKMT2A
SCHEMBL9219236 0.88 ACHE (0.39) MAPTKMT2A
SCHEMBL9225461 0.84 AVPR1A (0.47) AVPR1AHSD11B1CYP3A4CYP2C19
SCHEMBL9225470 0.84 AVPR1A (0.47) AVPR1AHSD11B1CYP3A4CYP2C19
SCHEMBL9223642 0.82 AVPR1A (0.52) AVPR1APOLBKMT2A
SCHEMBL9223636 0.82 AVPR1A (0.52) AVPR1APOLBKMT2A
SCHEMBL9224944 0.73 ACHE (0.43) AVPR1A
SCHEMBL9222223 0.72 AVPR1A (0.45) AVPR1AMAPTKMT2A
SCHEMBL9222227 0.72 AVPR1A (0.45) AVPR1AMAPTKMT2A

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-0282895-B1 2-oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMA CO LTD (JP) 1995-06-07 EP disclosed
US-5037976-A Antimicrobial Agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-06 US disclosed
US-4898859-A 2-Oxa-isocephem compounds and compositions containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-06 US disclosed
EP-0282895-A2 2-oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-09-21 EP disclosed