SCHEMBL4383294

SCHEMBL4383294

O=C(OC1CCCCC1)C1CC2C=CC1O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.35
FABP5 Q01469 1/20 0.35
EPHX1 P07099 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CYP19A1 P11511 3/20 0.31
MMP9 P14780 2/20 0.31
MMP12 P39900 2/20 0.31
MMP1 P03956 1/20 0.31
NAAA Q02083 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MMP2 P08253 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 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
SCHEMBL11907667 1.00 FABP7 (0.35) FABP7FABP5EPHX1CHRM2CHRM4
SCHEMBL11909544 0.98 FABP7 (0.33) FABP7FABP5EPHX1CHRM2CHRM4
SCHEMBL11909079 0.85 CYP2C19 (0.35) EPHX1CYP2C19CYP3A4TSHRCYP19A1
SCHEMBL11907654 0.85 CYP2C19 (0.35) EPHX1CYP2C19CYP3A4TSHRCYP19A1
SCHEMBL13888443 0.85
SCHEMBL11907864 0.83 CYP19A1 (0.33) CYP2C19CYP3A4CYP19A1NAAA
SCHEMBL11907593 0.81 TP53 (0.32) CYP3A4
SCHEMBL13888463 0.81 PLG (0.33)
SCHEMBL11907608 0.81 TP53 (0.32) CYP3A4
SCHEMBL11909935 0.81 CYP19A1 (0.35) CYP2C19CYP3A4TSHRCYP19A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450440-B2 Method for purifying polymer and polymer MITSUI CHEMICALS, INC. (JP) 2013-05-28 US disclosed
US-20120208976-A1 METHOD FOR PURIFYING POLYMER AND POLYMER MITSUI CHEMICALS, INC (JP) 2012-08-16 US disclosed
US-8211984-B2 Ring-opening metathesis polymer, hydrogenated product thereof, method for preparing the same, and use thereof MITSUI CHEMICALS, INC. (JP) 2012-07-03 US disclosed
US-20090215974-A1 RING-OPENING METATHESIS POLYMER, HYDROGENATED PRODUCT THEREOF, METHOD FOR PREPARING THE SAME, AND USE THEREOF MITSUI CHEMICALS INC (JP) 2009-08-27 US disclosed
EP-2045280-A1 RING-OPENING METATHESIS POLYMERS, PRODUCTS OF HYDROGENATION THEREOF, PROCESS FOR PRODUCTION OF THE SAME AND USES THEREOF Mitsui Chemicals, Inc. (JP) 2009-04-08 EP disclosed