SCHEMBL9721990

SCHEMBL9721990

O=C(O)C(Cl)Oc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.51
PPARA Q07869 5/20 0.51
ALDH1A1 P00352 2/20 0.46
LDHA P00338 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
NR4A2 P43354 1/20 0.39
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL27851337 0.84 ALDH1A1 (0.46) PPARGPPARAALDH1A1NPSR1NR4A2
SCHEMBL367795 0.82 PPARG (0.56) PPARGPPARA
SCHEMBL101519 0.81 PPARG (0.46) PPARGPPARAALDH1A1LDHACYP1A2
SCHEMBL1324245 0.80 PPARG (0.51) PPARGPPARAALDH1A1LDHACYP1A2
SCHEMBL4300290 0.80 LDHA (0.66) PPARGPPARAALDH1A1LDHANPSR1
Hydrochloric Acid SCHEMBL11631504 0.80 PPARG (0.54) PPARGPPARA
SCHEMBL4641913 0.79 ALDH1A1 (0.46) PPARGPPARAALDH1A1LDHANPSR1
SCHEMBL28131536 0.79 PPARG (0.45) PPARGPPARAALDH1A1CYP1A2GAA
Phosphine SCHEMBL28858272 0.79 PPARG (0.45) PPARGPPARAALDH1A1CYP1A2GAA
SCHEMBL10717267 0.77 RXRA (0.44) PPARGPPARACYP1A2GAACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118459503-A Dimethyl phosphine oxide compound, and preparation method and application thereof 华中师范大学 2024-08-09 CN disclosed
CN-110143932-B Piperazinone derivatives, process for producing the same, inhibitor, and method for controlling root-parasitic weeds 南开大学 2022-09-16 CN disclosed
CN-111493078-A Use of piperazinone derivatives, an accelerator and a method for controlling root parasitic weeds 南开大学 2020-08-07 CN disclosed
WO-2019154284-A1 PIPERAZINONE DERIVATIVE, PREPARATION METHOD THEREFOR, USE THEREOF, ACCELERATOR AND METHOD FOR CONTROLLING ROOT PARASITIC WEEDS 南开大学 2019-08-15 WO disclosed
CN-100406013-C Camptothecin derivatives CALIFORNIA PACIFIC MED CENTER (US) 2008-07-30 CN disclosed
US-5129950-A Modulation of membrane dependent metabolism A NATTERMANN & CIE GMBH (DE) 1992-07-14 US disclosed
EP-0250583-A1 USE OF MEMBRANE MODULATORS AND PRODUCTS COMPRISING SUCH MEMBRANE MODULATORS A. Nattermann & Cie. GmbH (DE) 1988-01-07 EP disclosed
EP-0231765-A1 Use of membrane modulators and products comprising such membrane modulators A. Nattermann & Cie. GmbH (DE) 1987-08-12 EP disclosed
WO-1987004048-A1 USE OF MEMBRANE MODULATORS AND PRODUCTS COMPRISING SUCH MEMBRANE MODULATORS A. NATTERMANN & CIE GMBH (DE) 1987-07-16 WO disclosed
EP-0068295-B1 A NEW HERBICIDAL COMPOSITION, PROCESSES FOR ITS PRODUCTION AND ITS USE A. Nattermann & Cie. GmbH (DE) 1985-08-28 EP disclosed