SCHEMBL1765673

SCHEMBL1765673

Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.64
ESR1 P03372 2/20 0.64
ESR2 Q92731 2/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
LTA4H P09960 4/20 0.54
NR1H2 P55055 1/20 0.54
BAX Q07812 1/20 0.54
PTGS1 P23219 2/20 0.47
NQO2 P16083 1/20 0.46
PTGS2 P35354 1/20 0.46
PARP10 Q53GL7 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
MAPK14 Q16539 1/20 0.44

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
SCHEMBL1685383 0.88 CA1 (0.52) KIF11LTA4HPDE4APDE4BPDE4C
SCHEMBL11148692 0.88 CA1 (0.52) KIF11LTA4HPDE4APDE4BPDE4C
SCHEMBL29377645 0.85 LTA4H (0.50) KIF11LTA4HPDE4APDE4BPDE4C
SCHEMBL57109 0.85 KIF11 (0.84) KIF11ESR1ESR2MEN1KMT2A
SCHEMBL3114496 0.85 MEN1 (0.56) KIF11ESR1ESR2MEN1KMT2A
SCHEMBL9711438 0.85 PTGS1 (0.47) KIF11ESR1ESR2MEN1KMT2A
SCHEMBL11756670 0.83 KIF11 (0.80) KIF11ESR1ESR2MEN1KMT2A
Hydrochloric Acid SCHEMBL29242575 0.83 KIF11 (0.80) KIF11ESR1ESR2MEN1KMT2A
Hydrochloric Acid SCHEMBL18955872 0.83 KIF11 (0.80) KIF11ESR1ESR2MEN1KMT2A
Potassium SCHEMBL30655561 0.83 KIF11 (0.80) KIF11ESR1ESR2MEN1KMT2A

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 212 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150167246-A1 ISOLATED AQUEOUS ENZYMATIC PREPARATION AND THE USE THEREOF FOR THE FUNCTIONALIZATION OF THE SURFACE OF PAPER OR CELLULOSIC SUBSTRATES NOPCO PAPER TECHNOLOGY HOLDING AS (NO) 2015-06-18 US claimed
EP-2857504-A1 ISOLATED AQUEOUS ENZYMATIC PREPARATION AND THE USE THEREOF FOR THE FUNCTIONALIZATION OF THE SURFACE OF PAPER OR CELLULOSIC SUBSTRATES Universitat Politècnica De Catalunya (ES) 2015-04-08 EP claimed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US claimed
WO-2003002081-A1 COMPOSITION COMPRISING A HYDROXYDIPHENYL ETHER DERIVATIVE INHIBITING THE DEVELOPMENT OF BODY ODOURS L'OREAL (FR) 2003-01-09 WO claimed
WO-2003002080-A1 COMPOSITIONS CONTAINING A DERIVATIVE OF HYDROXYDIPHENYL ETHER INHIBITING THE DEVELOPMENT OF BODY ODOURS L'OREAL (FR) 2003-01-09 WO claimed
WO-2003002078-A1 COMPOSITIONS CONTAINING A HYDROXYDIPHENYL ETHER DERIVATIVE INHIBITING BODY ODOURS L'OREAL (FR) 2003-01-09 WO claimed
WO-2003002079-A1 COMPOSITIONS CONTAINING A HYDROXYDIPHENYL ETHER DERIVATIVE INHIBITING BODY ODOURS L'OREAL (FR) 2003-01-09 WO claimed
WO-2003002072-A1 COMPOSITIONS CONTAINING A HYDROXYDIPHENYL ETHER DERIVATIVE INHIBITING BODY ODOURS L'ORÉAL (FR) 2003-01-09 WO claimed
EP-0058173-B1 PROCESS FOR THE SYNTHESIS OF ARYLOXY DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1984-12-05 EP claimed
EP-0095115-A1 Substituted diphenyl ethers BAYER AG (DE) 1983-11-30 EP claimed
EP-0002246-B1 OXIME ESTERS, HERBICIDES CONTAINING THEM, THEIR USE AS HERBICIDES AS WELL AS A PROCESS FOR THEIR PREPARATION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-01-20 EP claimed
EP-0002246-A2 Oxime esters, herbicides containing them, their use as herbicides as well as a process for their preparation F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-06-13 EP claimed
JP-56016421-A None JP disclosed
JP-55111430-A None JP disclosed
JP-56032401-A None JP disclosed
JP-56147738-A None JP disclosed
EP-0002246-A2 Oxime esters, herbicides containing them, their use as herbicides as well as a process for their preparation F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-06-13 EP disclosed
JP-S5446732-A PREPARATION OF HYDROQUINONE DERIVATIVE NIPPON SODA CO LTD 1979-04-12 JP disclosed
US-4070178-A Herbicidal diphenyl ethers ROHM AND HAAS COMPANY (US) 1978-01-24 US disclosed
US-3966826-A Phenyl ethers HOECHST AKTIENGESELLSCHAFT (DT) 1976-06-29 US disclosed