SCHEMBL1827702

SCHEMBL1827702

CC(O)C(=O)Oc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
CHRNB2 P17787 1/20 0.40
SLC6A2 P23975 1/20 0.40
CHRNB4 P30926 1/20 0.40

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
SCHEMBL29699726 0.88 HPGD (0.49) HPGDESR1ESR2MEN1KMT2A
SCHEMBL5199329 0.88 HPGD (0.49) HPGDESR1ESR2MEN1KMT2A
SCHEMBL5504728 0.85 HPGD (0.47) HPGDESR1ESR2MEN1KMT2A
SCHEMBL10179758 0.82 ESR1 (0.49) HPGDESR1ESR2MEN1KMT2A
SCHEMBL27478666 0.82 HPGD (0.45) HPGDESR1ESR2MEN1KMT2A
SCHEMBL21635118 0.81 MEN1 (0.44) HPGDESR1ESR2MEN1KMT2A
SCHEMBL1827123 0.81 LMNA (0.62) MEN1KMT2APPARGADRB2ADRB1
SCHEMBL10787310 0.81 CYP3A4 (0.62) ESR1ESR2MEN1KMT2AATM
SCHEMBL10522418 0.81 LMNA (0.58) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL10520830 0.79 CYP3A4 (0.48) MEN1KMT2AADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2327766-B1 Nitrilases BASF ENZYMES LLC (US) 2015-12-02 EP disclosed
EP-2319919-B1 Nitrilases BASF ENZYMES LLC (US) 2015-08-12 EP disclosed
EP-1576108-B1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BASF ENZYMES LLC (US) 2015-07-08 EP disclosed
EP-2327767-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-29 EP disclosed
EP-2327765-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-01 EP disclosed
CN-1849391-B Nitrilases, nucleic acids encoding nitrilases, and methods of making and using the same DIVERSA CORP 2014-06-11 CN disclosed
EP-2115153-B1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BP CORP NORTH AMERICA INC (US) 2013-06-05 EP disclosed
CN-102796750-A Nitrilases, nucleic acids encoding them and methods for making and using Them VERENIUM CORP 2012-11-28 CN disclosed
EP-2327766-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2327765-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2327767-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2319919-A1 Nitrilases Verenium Corporation (US) 2011-05-11 EP disclosed
EP-2039762-A2 Nitralases Verenium Corporation (US) 2009-03-25 EP disclosed
EP-1578910-A4 NITRILASES VERENIUM CORP (US) 2008-06-04 EP disclosed
CN-1849391-A Nitrilases, nucleic acids encoding nitrilases, and methods of making and using the same DIVERSA CORP (US) 2006-10-18 CN disclosed
EP-1578910-A2 NITRILASES DIVERSA CORPORATION (US) 2005-09-28 EP disclosed
WO-2003000840-A2 NITRILASES DIVERSA CORPORATION (US) 2003-01-03 WO disclosed