SCHEMBL9780966

SCHEMBL9780966

CC(Oc1ccccc1F)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.66
ALDH1A1 P00352 2/20 0.66
KMT2A Q03164 1/20 0.66
LMNA P02545 3/20 0.60
HPGD P15428 1/20 0.59
NPSR1 Q6W5P4 1/20 0.57
PPARG P37231 1/20 0.57
PPARA Q07869 1/20 0.57
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PKM P14618 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
FFAR1 O14842 1/20 0.50
TSHR P16473 1/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL9780972 1.00 GAA (0.66) GAAALDH1A1KMT2ALMNAHPGD
SCHEMBL29249699 1.00 GAA (0.66) GAAALDH1A1KMT2ALMNAHPGD
SCHEMBL9506278 0.90 KMT2A (0.63) GAAALDH1A1KMT2ALMNAHPGD
SCHEMBL12667937 0.84 GAA (0.59) GAAALDH1A1KMT2ALMNAHPGD
SCHEMBL28746514 0.84 ALDH1A1 (0.64) GAAALDH1A1KMT2ALMNAHPGD
SCHEMBL31107960 0.83 KMT2A (0.54) GAAALDH1A1KMT2ALMNAHPGD
SCHEMBL15291914 0.83 KMT2A (0.54) GAAALDH1A1KMT2ALMNAHPGD
SCHEMBL10563315 0.82 KMT2A (0.58) GAAALDH1A1KMT2ALMNAHPGD
SCHEMBL17070609 0.82 GAA (0.67) GAAALDH1A1KMT2ALMNAHPGD
SCHEMBL30336909 0.82 KMT2A (0.61) GAAALDH1A1KMT2ALMNAHPGD

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
CN-112094259-B Iodine (III) -mediated radiofluorination 通用医疗公司 2023-09-01 CN disclosed
CN-110720467-A Agricultural field herbicide composition and application thereof 青岛瀚生生物科技股份有限公司 2020-01-24 CN disclosed
CN-105017240-A Pesticidal compositions DOW AGROSCIENCES LLC 2015-11-04 CN disclosed
CN-1285561-C Alpha, beta-unsaturated ketone compound and its prepn process and GST-Pi inhibiting activity UNIV SHANDONG (CN) 2006-11-22 CN disclosed
CN-1706789-A Alpha, beta-unsaturated ketone compound and its prepn process and GST-Pi inhibiting activity UNIV SHANDONG (CN) 2005-12-14 CN disclosed
CN-1036564-C Herbicidal glutarmides ROHM & HAAS (US) 1997-12-03 CN disclosed
CN-1020106-C Process for pyrimidine derivatives HOFFMANN LA ROCHE (CH) 1993-03-17 CN disclosed
EP-0257378-B1 PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1991-07-03 EP disclosed
US-5010060-A Method of treating herpes simplex viral infection employing pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1991-04-23 US disclosed
CN-1049846-A Glutarimide with weeding activity ROHM & HAAS (US) 1991-03-13 CN disclosed
US-4851519-A AMIDO NUCLEOSIDES, VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1989-07-25 US disclosed
EP-0257378-A1 Pyrimidine derivatives, their preparation and medicaments containing these derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-03-02 EP disclosed
CN-87105758-A Pyrimidine derivatives, their production and use 1988-03-02 CN disclosed
CN-85105869-A The preparation method of asymmetric glycolylurea 1987-01-28 CN disclosed