SCHEMBL9219306

SCHEMBL9219306

CC(O[Si](C)(C)C(C)(C)C)C(C(=O)OCc1ccccc1)N1C(=O)C(N2C(=O)c3ccccc3C2=O)C1CO

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.44
ELANE P08246 5/20 0.38
MAPK1 P28482 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
BTN3A1 O00481 1/20 0.33
CTRB1 P17538 1/20 0.32

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
SCHEMBL9219312 1.00 AVPR1A (0.44) AVPR1AELANEMAPK1CYP3A4CYP2D6
SCHEMBL9222237 0.87 AVPR1A (0.39) AVPR1AELANECYP2C19RAB9ALMNA
SCHEMBL9222234 0.87 AVPR1A (0.39) AVPR1AELANECYP2C19RAB9ALMNA
SCHEMBL9225470 0.84 AVPR1A (0.47) AVPR1AELANEMAPK1CYP3A4CYP2D6
SCHEMBL9225461 0.84 AVPR1A (0.47) AVPR1AELANEMAPK1CYP3A4CYP2D6
SCHEMBL10694864 0.82 AVPR1A (0.42) AVPR1AELANE
SCHEMBL9228271 0.76 KMT2A (0.36) CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL9228267 0.76 KMT2A (0.36) CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL8569288 0.76 MAPK1 (0.45) ELANEMAPK1CYP3A4CYP2D6CYP2C9
SCHEMBL9224938 0.73 ACHE (0.43) AVPR1A

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 3 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-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