SCHEMBL1822201

SCHEMBL1822201

CC(O)C(=O)Oc1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
FAAH O00519 4/20 0.42
KMT2A Q03164 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PARP10 Q53GL7 1/20 0.40
CXCL8 P10145 1/20 0.40
MEN1 O00255 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL4596733 0.87 ALDH1A1 (0.50) ALDH1A1GAALMNASMN1; SMN2MAPT
SCHEMBL2014680 0.84 ALDH1A1 (0.51) ALDH1A1GAALMNASMN1; SMN2MAPT
SCHEMBL8791825 0.84 ALDH1A1 (0.47) ALDH1A1GAALMNASMN1; SMN2MAPT
SCHEMBL15670768 0.84 ALDH1A1 (0.51) ALDH1A1GAALMNASMN1; SMN2MAPT
SCHEMBL10180088 0.81 ALDH1A1 (0.47) ALDH1A1GAALMNASMN1; SMN2MAPT
SCHEMBL27988743 0.81 ALDH1A1 (0.46) ALDH1A1GAALMNASMN1; SMN2MAPT
SCHEMBL27685965 0.81 ALDH1A1 (0.46) ALDH1A1GAALMNASMN1; SMN2MAPT
SCHEMBL21635123 0.80 ALDH1A1 (0.55) ALDH1A1GAALMNASMN1; SMN2MAPT
SCHEMBL1826831 0.79 TDP1 (0.47) ALDH1A1HPGDKMT2APPARGKDM4E
SCHEMBL352382 0.79 CA1 (0.47) ALDH1A1GAALMNASMN1; SMN2MAPT

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
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-2327765-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2327766-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
CN-1849391-A Nitrilases, nucleic acids encoding nitrilases, and methods of making and using the same DIVERSA CORP (US) 2006-10-18 CN disclosed