SCHEMBL6477754

SCHEMBL6477754

O=C(OC(=O)OC1CCCC1)OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.46
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
NAAA Q02083 2/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.38
CYP19A1 P11511 4/20 0.37
MMP9 P14780 2/20 0.35
MMP12 P39900 2/20 0.35
MMP1 P03956 1/20 0.35
FABP7 O15540 1/20 0.34
FABP5 Q01469 1/20 0.34
STS P08842 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BCHE P06276 1/20 0.34
MMP2 P08253 1/20 0.34

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
SCHEMBL6486155 0.97 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
SCHEMBL774622 0.97 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
SCHEMBL8726343 0.97 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
SCHEMBL16599719 0.88 SERPINE1 (0.37) EPHX1NAAACYP2C19
SCHEMBL982024 0.88 EPHX1 (0.56) EPHX1CA12CA1CA2CA9
SCHEMBL13387598 0.86 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
SCHEMBL11589654 0.86 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
SCHEMBL8426647 0.86 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
SCHEMBL8991654 0.86 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
SCHEMBL984315 0.86 EPHX1 (0.60) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539330-B1 Process for the preparation of substituted indoles CIBA GEIGY AG (CH) 1995-05-17 EP claimed
US-5359083-A Process for the preparation of substituted indoles CIBA-GEIGY CORPORATION (US) 1994-10-25 US claimed
US-20230002540-A1 FOAMED POLYURETHANE COMPOSITIONS PRESIDIUM INNOVATIONS, LLC 2023-01-05 US disclosed
EP-4065622-A1 FOAMED POLYURETHANE COMPOSITIONS Presidium USA, Inc. (US) 2022-10-05 EP disclosed
CN-115023455-A Foamed polyurethane composition 美国主席团有限公司 2022-09-06 CN disclosed
WO-2021108289-A1 FOAMED POLYURETHANE COMPOSITIONS PRESIDIUM USA, INC. (US) 2021-06-03 WO disclosed
US-6890377-B2 Thermochromic rylene dyes BASF AKTIENGESELLSCHAFT (DE) 2005-05-10 US disclosed
US-20040089199-A1 Thermochromic rylene dyes BASF AKTIENGESELLSCHAFT (DE) 2004-05-13 US disclosed
US-6486319-B1 Thermochromic rylene dyes BASF AKTIENGESELLSCHAFT (DE) 2002-11-26 US disclosed
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed
US-5399714-A Process for the preparation of substituted indoles CIBA-GEIGY CORPORATION (US) 1995-03-21 US disclosed
US-5359083-A Process for the preparation of substituted indoles CIBA-GEIGY CORPORATION (US) 1994-10-25 US disclosed
US-5248693-A Antiallergens, antiinflammatory agents CIBA-GEIGY CORPORATION (US) 1993-09-28 US disclosed