SCHEMBL2586871

SCHEMBL2586871

O=C(O)C1(C(=O)O)CCC(CC2CCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 3/20 0.36
SLC1A2 P43004 3/20 0.36
SLC1A1 P43005 3/20 0.36
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
GRM2 Q14416 1/20 0.35
EPHX1 P07099 3/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 1/20 0.34
ALOX5 P09917 1/20 0.34
CYP2C19 P33261 1/20 0.33
ARG1 P05089 1/20 0.33
EPHX2 P34913 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32

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
SCHEMBL195621 0.91 KMT2A (0.32) LMNAGRM2KMT2ACYP2C19ARG1
SCHEMBL14128900 0.84 CYP1A2 (0.42) EPHX1HPGD
Bicarbonate SCHEMBL3901610 0.79 LMNA (0.43) SLC1A3SLC1A2SLC1A1LMNACYP2D6
SCHEMBL3780276 0.78 CYP2C19 (0.36) SLC1A3SLC1A2SLC1A1LMNACYP2D6
SCHEMBL11468524 0.77 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1GRM2ALOX5
SCHEMBL29054015 0.76 APLNR (0.32) ARG1
SCHEMBL524796 0.76 ALDH1A1 (0.38) LMNACYP2D6GRM2EPHX1CYP2C19
SCHEMBL7857947 0.75 ARG1 (0.40) SLC1A3SLC1A2SLC1A1LMNAGRM2
SCHEMBL2787594 0.73 ATP1A1 (0.33) EPHX1HPGDKMT2AALOX5CYP2C19
Urea SCHEMBL27625501 0.72 ALOX5 (0.52) SLC1A3SLC1A2SLC1A1CYP2D6EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1710482-B1 LAMINATED TUBE UBE INDUSTRIES (JP) 2013-04-17 EP disclosed
US-8067075-B2 Multilayer tube UBE INDUSTRIES, INC. (JP) 2011-11-29 US disclosed
US-20070148389-A1 Multilayer tube Ube Industries, Ltd. a corporation of Japan, 1978-96 (JP) 2007-06-28 US disclosed
EP-1710482-A1 LAMINATED TUBE Ube Industries, Ltd. (JP) 2006-10-11 EP disclosed