SCHEMBL4377201

SCHEMBL4377201

O=C(CC1CC2C=CC1O2)OC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.38
CYP19A1 P11511 2/20 0.38
MIF P14174 1/20 0.38
NAAA Q02083 2/20 0.37
HTT P42858 2/20 0.36
EPHX1 P07099 2/20 0.33
ALDH1A1 P00352 6/20 0.31
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TSHR P16473 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 3/20 0.30
RAB9A P51151 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
CXCR1 P25024 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
SCHEMBL13888483 0.84 PLG (0.31) LMNA
SCHEMBL11909079 0.76 CYP2C19 (0.35) CYP2C19CYP19A1MIFNAAAHTT
SCHEMBL11907654 0.76 CYP2C19 (0.35) CYP2C19CYP19A1MIFNAAAHTT
SCHEMBL4383294 0.75 FABP7 (0.35) CYP2C19CYP19A1NAAAEPHX1CYP3A4
SCHEMBL4378675 0.75 MGAM (0.34) MIFALDH1A1CYP3A4CYP1A2HSD17B10
SCHEMBL11907667 0.75 FABP7 (0.35) CYP2C19CYP19A1NAAAEPHX1CYP3A4
SCHEMBL11907864 0.74 CYP19A1 (0.33) CYP2C19CYP19A1NAAAHTTCYP3A4
SCHEMBL4388846 0.74 MIF (0.36) MIFTSHRLMNA
SCHEMBL4378650 0.74 MIF (0.32) MIF
SCHEMBL1088535 0.73 SLC6A12 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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