SCHEMBL2399692

SCHEMBL2399692

COC(=O)C(C)c1ccc(C(O)C(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
MT-CO2 P00403 1/20 0.45
PTGS2 P35354 4/20 0.45
PTGS1 P23219 1/20 0.45
KMT2A Q03164 1/20 0.41
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL12896284 0.82 HPGD (0.53) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL11130803 0.82 HPGD (0.53) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL12424105 0.80 HPGD (0.51) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL1345145 0.80 ESR1 (0.56) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL1346074 0.80 ESR1 (0.56) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL1747458 0.80 ESR1 (0.56) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL2400520 0.79 HPGD (0.48) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL17086711 0.78 HPGD (0.50) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL1345587 0.78 HPGD (0.50) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL8862131 0.78 HPGD (0.50) HPGDMT-CO2PTGS2PTGS1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252559-B2 Methods and systems for selective fluorination of organic molecules THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-08-28 US disclosed
US-8252559-B2 Methods and systems for selective fluorination of organic molecules THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-08-28 US disclosed
US-8252559-B2 Methods and systems for selective fluorination of organic molecules THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-08-28 US disclosed
US-8026085-B2 Methods and systems for selective fluorination of organic molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-09-27 US disclosed
US-8026085-B2 Methods and systems for selective fluorination of organic molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-09-27 US disclosed
US-8026085-B2 Methods and systems for selective fluorination of organic molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-09-27 US disclosed
US-20090209010-A1 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-08-20 US disclosed
US-20090209010-A1 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-08-20 US disclosed
US-20090209010-A1 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-08-20 US disclosed
EP-2069513-A2 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES California Institute of Technology (US) 2009-06-17 EP disclosed
US-20090061471-A1 Methods and systems for selective fluorination of organic molecules INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2009-03-05 US disclosed
US-20090061471-A1 Methods and systems for selective fluorination of organic molecules INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2009-03-05 US disclosed
US-20090061471-A1 Methods and systems for selective fluorination of organic molecules INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2009-03-05 US disclosed
WO-2008016709-A2 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-02-07 WO disclosed