SCHEMBL8405366

SCHEMBL8405366

C=COC(=O)C(C1CCCCC1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.47
ALDH1A1 P00352 5/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
EPHX2 P34913 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
MMP2 P08253 2/20 0.30
CA9 Q16790 2/20 0.30
DPP4 P27487 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL29028829 0.98 EPHX1 (0.43) EPHX1ALDH1A1NPSR1GAANPC1
SCHEMBL8030743 0.81 ALDH1A1 (0.40) EPHX1ALDH1A1NPSR1GAANPC1
SCHEMBL6893759 0.77 EPHX1 (0.52) EPHX1ALDH1A1NPSR1GAANPC1
SCHEMBL3538057 0.72 EPHX1 (0.52) EPHX1ALDH1A1NPSR1SMN1; SMN2TP53
SCHEMBL9846853 0.72 EPHX1 (0.52) EPHX1ALDH1A1NPSR1SMN1; SMN2TP53
SCHEMBL23930274 0.71 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
SCHEMBL8150350 0.71 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
SCHEMBL27528551 0.71 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
SCHEMBL873008 0.71 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
SCHEMBL27569372 0.71 EPHX1 (0.50) EPHX1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703505-B1 Toner for two-component type developer MITA INDUSTRIAL CO LTD (JP) 1999-07-14 EP disclosed
US-5750301-A BINDER RESINS WITH ANIONIC GROUPS AND GRAFTED WAX WITH MAGNETIC POWDERS MITA INDUSTRIAL CO., LTD. (JP) 1998-05-12 US disclosed
CN-1141445-A Toner for two-component magnetic developing agent YAMATA INDUSTRY CO LTD (JP) 1997-01-29 CN disclosed
CN-1140266-A Toner for two-component developer MITA INDUSTRIAL CO LTD (JP) 1997-01-15 CN disclosed
EP-0744668-A2 Toner for two-component magnetic developing agent MITA INDUSTRIAL CO. LTD. (JP) 1996-11-27 EP disclosed
CN-1126847-A Toner for a two-component type developer SANDA IND CO LTD (JP) 1996-07-17 CN disclosed
EP-0704768-A1 Toner for a two-component type developer MITA INDUSTRIAL CO., LTD. (JP) 1996-04-03 EP disclosed
EP-0703505-A1 Toner for two-component type developer MITA INDUSTRIAL CO., LTD. (JP) 1996-03-27 EP disclosed