SCHEMBL9036258

SCHEMBL9036258

CC(C)(C)C(=O)OCOC(=O)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
PRKCA P17252 1/20 0.47
PRKCD Q05655 1/20 0.47
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.42
HCAR2 Q8TDS4 1/20 0.42
NPC1 O15118 2/20 0.42
SYK P43405 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL522510 0.86 ALDH1A1 (0.62) ALDH1A1PRKCAPRKCDKMT2ATDP1
SCHEMBL18691827 0.86 ALDH1A1 (0.53) ALDH1A1PRKCAPRKCDKMT2ATDP1
Ammonia Solution, Strong SCHEMBL27451848 0.84 ALDH1A1 (0.60) ALDH1A1PRKCAPRKCDKMT2ATDP1
SCHEMBL28246707 0.84 ALDH1A1 (0.60) ALDH1A1PRKCAPRKCDKMT2ATDP1
SCHEMBL24250989 0.83 ALDH1A1 (0.50) ALDH1A1PRKCAPRKCDKMT2ATDP1
Carbon Dioxide SCHEMBL28321686 0.81 ALDH1A1 (0.56) ALDH1A1PRKCAPRKCDKMT2ATDP1
SCHEMBL1680118 0.81 ALDH1A1 (0.56) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL10814449 0.81 PRKCA (0.45) ALDH1A1PRKCAPRKCDKMT2ATDP1
SCHEMBL11071944 0.81 PRKCA (0.45) ALDH1A1PRKCAPRKCDKMT2ATDP1
SCHEMBL27144 0.80 ALDH1A1 (0.68) ALDH1A1KMT2ATDP1MAPK1L3MBTL1

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 11 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
US-5191077-A Diastereomeric 5R,6S-6-(1R-hydroxyethyl)-2-(cis-1-oxo-3-thiolanylthio)-2-penem-3-carboxylic acids PFIZER INC. (US) 1993-03-02 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
US-4870170-A Process for 2-(1-oxo-3-thiolanyl)-2-penem antibiotics PFIZER INC. (US) 1989-09-26 US disclosed
US-4794179-A 2-(1-oxo-3-thiolanyl)-2-penem antibiotics PFIZER INC. (US) 1988-12-27 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