SCHEMBL9862019

SCHEMBL9862019

C=CC(=O)OOC(C)(OOC(=O)OCC)C(C)(C)c1ccc(C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 1/20 0.37
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 4/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ACACB O00763 1/20 0.32
EPHX1 P07099 1/20 0.32
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 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
SCHEMBL9862000 0.86 GSTO1 (0.36) LMNASMN1; SMN2CYP2C9TSHRMEN1
SCHEMBL8972258 0.77 CYP2D6 (0.32) LMNASMN1; SMN2HTTCYP2D6CYP2C9
SCHEMBL10498325 0.76 ALDH1A1 (0.38) SMN1; SMN2HIF1ATSHRHPGDKDM4E
SCHEMBL9862091 0.73 THRB (0.36) SMN1; SMN2HIF1ATSHRHPGDALDH1A1
SCHEMBL3385457 0.71 CYP2D6 (0.36) CYP2D6CYP2C9HIF1AKDM4E
SCHEMBL10349877 0.71 THRB (0.36) LMNASMN1; SMN2HTTCYP2D6CYP2C9
SCHEMBL9851458 0.71 LMNA (0.39) LMNASMN1; SMN2HTTCYP2D6CYP2C9
SCHEMBL9851460 0.70 LMNA (0.37) LMNASMN1; SMN2HTTCYP2D6CYP2C9
SCHEMBL9336308 0.70 CYP2D6 (0.33) LMNASMN1; SMN2HTTCYP2D6CYP2C9
SCHEMBL9847989 0.69 LMNA (0.38) LMNASMN1; SMN2HTTCYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0423767-A2 Thermoplastic resin composition and method for preparing the same NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-04-24 EP disclosed