SCHEMBL8956579

SCHEMBL8956579

CCOP(=O)(OCC)OC(=O)CF

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.36
PPARD Q03181 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NR1I2 O75469 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 3/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL7507275 0.82 TSHR (0.55) TSHRTDP1TP53PPARDCA12
SCHEMBL1563399 0.82 TSHR (0.55) TSHRTDP1TP53PPARDCA12
SCHEMBL599445 0.78 TSHR (0.50) TSHRTDP1TP53PPARDCA12
SCHEMBL1735131 0.78 TSHR (0.50) TSHRTDP1TP53PPARDCA12
SCHEMBL6670269 0.78 TSHR (0.50) TSHRTDP1TP53PPARDCA12
SCHEMBL5762672 0.77 TSHR (0.48) TSHRTDP1TP53PPARDCA12
SCHEMBL7507280 0.75 TSHR (0.46) TSHRTDP1TP53PPARDCA12
SCHEMBL1481518 0.75 TSHR (0.46) TSHRTDP1TP53PPARDCA12
SCHEMBL4266926 0.75 TSHR (0.46) TSHRTP53CYP3A4
SCHEMBL1237286 0.75 TSHR (0.57) TSHRTDP1TP53PPARDCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024061340-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-03-28 WO disclosed
WO-2024056077-A1 MODIFIED PROTEINS AND PROTEIN BINDERS AND DEGRADERS CULLGEN (SHANGHAI) , INC. (CN) 2024-03-21 WO disclosed
WO-2023138684-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO , INC. (US) 2023-07-27 WO disclosed
WO-2018103058-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2018-06-14 WO disclosed
WO-2012158795-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2012-11-22 WO disclosed
EP-0544587-B1 Alpha-methylene-2-vinyl-benzeneacetic acid derivatives, process for their preparation and their use as pesticides ROUSSEL UCLAF (FR) 1996-05-29 EP disclosed
US-5489592-A ALDOSE REDUCTASE INHIBITORS FOR TREATMENT OF DIABETES-RELATED DISORDERS LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1996-02-06 US disclosed
EP-0521752-B1 Process for the preparation of alpha fluorinated acrylates ATOCHEM ELF SA (FR) 1995-03-22 EP disclosed
EP-0474527-B1 Process for preparing (cyanofluoromethyl) phosphonic acid esters ROUSSEL UCLAF (FR) 1995-03-01 EP disclosed
EP-0607344-A1 3,4-DIHYDRO-4-OXO-3-(PROP-2-ENYL)-1-PHTALAZINEACETIC ACIDS AND DERIVATIVES, PREPARATIONS THEREOF AND DRUGS CONTAINING SAME LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1994-07-27 EP disclosed
US-5310746-A Insecticides, miticides, nematocides ROUSSEL UCLAF (FR) 1994-05-10 US disclosed
EP-0544587-A1 Alpha-methylene-2-vinyl-benzeneacetic acid derivatives, process for their preparation and their use as pesticides ROUSSEL UCLAF (FR) 1993-06-02 EP disclosed
WO-1993007109-A1 3,4-DIHYDRO-4-OXO-3-(PROP-2-ENYL)-1-PHTALAZINEACETIC ACIDS AND DERIVATIVES, PREPARATIONS THEREOF AND DRUGS CONTAINING SAME LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1993-04-15 WO disclosed
EP-0521752-A1 Process for the preparation of alpha fluorinated acrylates ELF ATOCHEM S.A. (FR) 1993-01-07 EP disclosed
EP-0474527-A1 Process for preparing (cyanofluoromethyl) phosphonic acid esters ROUSSEL-UCLAF (FR) 1992-03-11 EP disclosed