SCHEMBL8979620

SCHEMBL8979620

OC(c1ccccc1Oc1ccccc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.46
CTNNB1 P35222 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
RIPK1 Q13546 1/20 0.40
LTA4H P09960 3/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1676646 0.80 LTA4H (0.53) CTNNB1RIPK1LTA4HTSHRKMT2A
SCHEMBL6280856 0.78 HRH1 (0.42) MLYCDCTNNB1ALDH1A1HPGDRIPK1
SCHEMBL6403569 0.78 RIPK1 (0.40) CTNNB1ALDH1A1HPGDRIPK1LTA4H
SCHEMBL548378 0.77 RIPK1 (0.50) CTNNB1ALDH1A1HPGDRIPK1LTA4H
SCHEMBL5085086 0.77 CA1 (0.46) ALDH1A1TSHRKMT2ALMNAGAA
Ammonia Solution, Strong SCHEMBL7132018 0.76 RIPK1 (0.39) CTNNB1ALDH1A1HPGDRIPK1LTA4H
SCHEMBL9485675 0.76 LTA4H (0.41) CTNNB1ALDH1A1HPGDRIPK1LTA4H
SCHEMBL29264828 0.75 RIPK1 (0.38) CTNNB1ALDH1A1HPGDRIPK1LTA4H
SCHEMBL2582219 0.75 MEN1 (0.52) ALDH1A1HPGDTSHRKMT2ALMNA
SCHEMBL11521654 0.74 LTA4H (0.58) ALDH1A1LTA4HHTTMAPK1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0493923-B1 Diazo sensitizers of fluorinated esters HOECHST CELANESE CORP (US) 1996-05-15 EP disclosed
US-5260162-A Compatable with fluorinated hydroxy polyamides AZ ELECTRONIC MATERIALS USA CORP. 1993-11-09 US disclosed
EP-0493923-A1 Diazo sensitizers of fluorinated esters HOECHST CELANESE CORPORATION (US) 1992-07-08 EP disclosed
EP-0317883-A2 Partially fluorinated diphenyl ethers, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-31 EP disclosed