SCHEMBL8949546

SCHEMBL8949546

O=S(=O)(ON(C1CCCCC1)C1CCCCC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 4/20 0.49
ENPP2 Q13822 3/20 0.49
ENPP1 P22413 3/20 0.49
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
EPHX2 P34913 1/20 0.41
PSEN1 P49768 3/20 0.41
PSEN2 P49810 3/20 0.41
APH1B Q8WW43 3/20 0.41
NCSTN Q92542 3/20 0.41
APH1A Q96BI3 3/20 0.41
PSENEN Q9NZ42 3/20 0.41
PTGS2 P35354 3/20 0.40
PTGS1 P23219 1/20 0.40
KIF11 P52732 1/20 0.40
MAPT P10636 3/20 0.40
NR1H3 Q13133 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38

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
SCHEMBL9677450 0.81 POLB (0.54) ENPP3ENPP2ENPP1HTR2AHTR2C
SCHEMBL14778329 0.79 ENPP3 (0.50) ENPP3ENPP2ENPP1HTR2AHTR2C
SCHEMBL14778119 0.78 ENPP3 (0.49) ENPP3ENPP2ENPP1HTR2AHTR2C
SCHEMBL28886166 0.77 TDP1 (0.42) ALDH1A1LMNAMEN1KMT2A
SCHEMBL27663312 0.75 HTR2A (0.72) HTR2AHTR2CALDH1A1LMNAMEN1
SCHEMBL8123743 0.72 KIF11 (0.53) ENPP3ENPP2ENPP1PTGS2PTGS1
SCHEMBL2421051 0.71 CCR6 (0.48) ENPP3ENPP2ENPP1HTR2AHTR2C
SCHEMBL6114563 0.71 PTGS2 (0.50) ENPP3ENPP2ENPP1PTGS2PTGS1
SCHEMBL27930882 0.70 ALDH1A1 (0.46) ENPP3ENPP2ENPP1HTR2AHTR2C
SCHEMBL12572276 0.70 SMN1; SMN2 (0.71) MAPTALDH1A1LMNATP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569884-B1 Rust inhibitor UNION CHEMICAL CO LTD (JP) 1996-09-18 EP claimed
EP-0569884-A1 Rust inhibitor UNION CHEMICAL CO., LTD. (JP) 1993-11-18 EP claimed
US-5573708-A ACID-SUBSTITUTED PERFLUOROALKYLBENZENES UNION CHEMICAL CO., LTD. (JP) 1996-11-12 US disclosed
EP-0569884-B1 Rust inhibitor UNION CHEMICAL CO LTD (JP) 1996-09-18 EP disclosed
US-5487846-A FLUORINE-SUBSTITUTED BENZENE DERIVATIVES UNION CHEMICAL CO., LTD. (JP) 1996-01-30 US disclosed
EP-0569884-A1 Rust inhibitor UNION CHEMICAL CO., LTD. (JP) 1993-11-18 EP disclosed