SCHEMBL7418958

SCHEMBL7418958

O=C(Cl)O[C@H]1CCC[C@@H](OC(=O)Cl)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
SERPINE1 P05121 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
GPR35 Q9HC97 2/20 0.37
NAAA Q02083 2/20 0.36
CYP2C19 P33261 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TPSAB1 Q15661 5/20 0.34
TPSD1 Q9BZJ3 5/20 0.34
TPSG1 Q9NRR2 5/20 0.34
CYP19A1 P11511 1/20 0.33
F2 P00734 1/20 0.33

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
SCHEMBL393224 1.00
SCHEMBL67220 0.94
SCHEMBL7755982 0.92 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
SCHEMBL9270019 0.92 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
SCHEMBL19729046 0.92 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
SCHEMBL19729048 0.92 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
SCHEMBL5836570 0.92 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
SCHEMBL9273496 0.92 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
SCHEMBL82977 0.92 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
SCHEMBL31239306 0.92 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211228-B1 COMPOUNDS WITH AMINO, GUANIDINO AND AMIDINO HETEROCYCLIC COMPOUNDS AXYS PHARMACEUTICALS, INC 2001-04-03 US disclosed
US-6022969-A Compositions and methods for treating mast-cell mediated conditions AXYS PHARMACEUTICALS, INC. (US) 2000-02-08 US disclosed
EP-0934293-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1999-08-11 EP disclosed
WO-1998004537-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1998-02-05 WO disclosed
EP-0782571-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1997-07-09 EP disclosed
WO-1996009297-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1996-03-28 WO disclosed