SCHEMBL7129048

SCHEMBL7129048

O=C1OC2(CC2)OC(=O)c2ccc1cc2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 15/20 0.39
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
KDM4E B2RXH2 4/20 0.37
PKM P14618 2/20 0.37
CRHBP P24387 2/20 0.37
CRHR2 Q13324 2/20 0.37
HTT P42858 2/20 0.36
HPGD P15428 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPSR1 Q6W5P4 5/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SIGMAR1 Q99720 2/20 0.31
DRD2 P14416 1/20 0.31

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
SCHEMBL27987809 0.88 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL27545733 0.70 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL11222734 0.70 KIF11 (0.33)
SCHEMBL7803976 0.69 PTGER3 (0.32) ALDH1A1SIGMAR1
SCHEMBL6904764 0.68 ALDH1A1 (0.34) ALDH1A1CYP1A2
SCHEMBL5586278 0.68 IDO1 (0.37) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL28650797 0.68 LMNA (0.33) LMNA
SCHEMBL29972822 0.67 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL28930535 0.67
SCHEMBL28906941 0.66 IDO1 (0.32) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176610-A1 Poly(methylene/polyethylene terephthalate) copolymers BAYLOR UNIVERSITY 2003-09-18 US claimed
US-20030176610-A1 Poly(methylene/polyethylene terephthalate) copolymers BAYLOR UNIVERSITY 2003-09-18 US disclosed