SCHEMBL9035448

SCHEMBL9035448

CC(C)(C)C(=O)OCC(=O)C(=O)F

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.38
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ELANE P08246 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
SCHEMBL8553384 0.77 PRKCA (0.38) PRKCAPOLBGAANPSR1ELANE
SCHEMBL28019636 0.75 PRKCA (0.43) PRKCACYP4F2CYP4A11POLBGAA
SCHEMBL9866275 0.73 PRKCA (0.42) PRKCACYP4F2CYP4A11POLBGAA
SCHEMBL3517297 0.73 PRKCA (0.42) PRKCACYP4F2CYP4A11POLBGAA
SCHEMBL7089654 0.73 PRKCA (0.42) PRKCACYP4F2CYP4A11POLBGAA
SCHEMBL13647509 0.73 MAPK1 (0.47) PRKCACYP4F2CYP4A11POLBGAA
SCHEMBL8816807 0.73 PRKCA (0.42) PRKCACYP4F2CYP4A11POLBGAA
SCHEMBL6205519 0.71 PRKCA (0.41) PRKCACYP4F2CYP4A11POLBGAA
SCHEMBL7222887 0.71 PRKCA (0.41) PRKCACYP4F2CYP4A11POLBGAA
SCHEMBL9871939 0.71 PRKCA (0.41) PRKCACYP4F2CYP4A11POLBGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0294934-B1 Diastereomeric 5R,6S-6-(1R-hydroxyethyl)-2-(cis-1-oxo-3-thiolanylthio)-2-penem-3-carboxylic acids PFIZER (US) 1996-01-10 EP disclosed
US-5319103-A Intermediate diastereomeric 5R,6S-6-(1R-hydroxyethyl)-2-(cis-1-oxo-3-thiolanylthio)-2-penem-carboxylic acids PFIZER INC. (US) 1994-06-07 US disclosed
EP-0223397-B1 PROCESS FOR 2-(1-OXO-3-THIOLANYL)-2-PENEM ANTIBIOTICS PFIZER INC. (US) 1991-09-04 EP disclosed
US-5013729-A Diastereomeric 5R,6S-6-(1R-hydroxyethyl)-2-(cis-1-oxo-3-thiolanylthio)-2-penem-3-carboxylic acids PFIZER INC. (US) 1991-05-07 US disclosed
EP-0294934-A2 Diastereomeric 5R,6S-6-(1R-hydroxyethyl)-2-(cis-1-oxo-3-thiolanylthio)-2-penem-3-carboxylic acids PFIZER INC. (US) 1988-12-14 EP disclosed
WO-1988008845-A1 DIASTEREOMERIC 5R,6S-6-(1R-HYDROXYETHYL)-2-(CIS-1-OXO-3-THIOLANYLTHIO)-2-PENEM-3-CARBOXYLIC ACIDS PFIZER INC. (US) 1988-11-17 WO disclosed
US-4739047-A Intermediates for 2-(1-oxo-3-thiolanyl)-2-penem antibiotics PFIZER INC. (US) 1988-04-19 US disclosed
EP-0223397-A2 Process for 2-(1-oxo-3-thiolanyl)-2-penem antibiotics PFIZER INC. (US) 1987-05-27 EP disclosed