SCHEMBL10694864

SCHEMBL10694864

C[C@@H](O[Si](C)(C)C(C)(C)C)C(C(=O)OCc1ccccc1)N1C(=O)C(N2C(=O)c3ccccc3C2=O)C1C(O)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.42
ELANE P08246 2/20 0.36
RECQL P46063 1/20 0.33
GPBAR1 Q8TDU6 2/20 0.33
TP53 P04637 2/20 0.32
MDM2 Q00987 2/20 0.32
HTT P42858 1/20 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
SCHEMBL10693428 0.90 MDM2 (0.34) AVPR1ARECQLTP53MDM2
SCHEMBL9222234 0.86 AVPR1A (0.39) AVPR1AELANEGPBAR1TP53MDM2
SCHEMBL9222237 0.86 AVPR1A (0.39) AVPR1AELANEGPBAR1TP53MDM2
SCHEMBL9219306 0.82 AVPR1A (0.44) AVPR1AELANE
SCHEMBL9219312 0.82 AVPR1A (0.44) AVPR1AELANE
SCHEMBL9228267 0.76 KMT2A (0.36) TP53MDM2
SCHEMBL9228271 0.76 KMT2A (0.36) TP53MDM2
SCHEMBL8569288 0.69 MAPK1 (0.45) ELANE
SCHEMBL9225470 0.68 AVPR1A (0.47) AVPR1AELANE
SCHEMBL9225461 0.68 AVPR1A (0.47) AVPR1AELANE

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-0282895-A2 2-oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-09-21 EP disclosed