SCHEMBL7826668

SCHEMBL7826668

Cc1noc(C(C)F)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
AGTR1 P30556 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 1/20 0.35
TRPA1 O75762 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
POLB P06746 2/20 0.32
FTO Q9C0B1 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 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
SCHEMBL3657281 0.85 TRPA1 (0.42) GAAALDH1A1KDM4EMAPTAGTR1
SCHEMBL938250 0.72 CYP1A2 (0.49) GAAALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL223413 0.71 GAA (0.49) GAAALDH1A1KDM4EMAPTAGTR1
Hydrochloric Acid SCHEMBL19119186 0.70 GAA (0.47) GAAALDH1A1KDM4EMAPTAGTR1
SCHEMBL21806565 0.68 HCAR2 (0.36) GAAALDH1A1KDM4EMAPTHCAR2
SCHEMBL8305745 0.68 ALDH1A1 (0.39) GAAALDH1A1MAPTAGTR1HCAR2
SCHEMBL19240419 0.68 POLB (0.46) GAAALDH1A1KDM4EMAPTAGTR1
SCHEMBL10802043 0.68 TRPA1 (0.41) GAAALDH1A1KDM4EMAPTAGTR1
SCHEMBL1571839 0.68 RXFP1 (0.48) GAAALDH1A1CYP1A2CYP2C9HCAR2
SCHEMBL9729578 0.68 LMNA (0.55) GAAALDH1A1KDM4ECYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001348378-A 5-(1-FLUOROETHYL)-3-METHYLISOXAZOLE-4-CARBOXYLIC ACID DERIVATIVE AND PEST CONTROLLING AGENT FOR AGRICULTURF, AND HORTICULTURE UBE IND LTD 2001-12-18 JP disclosed
JP-2001348378-A 5-(1-FLUOROETHYL)-3-METHYLISOXAZOLE-4-CARBOXYLIC ACID DERIVATIVE AND PEST CONTROLLING AGENT FOR AGRICULTURF, AND HORTICULTURE UBE IND LTD 2001-12-18 JP disclosed