SCHEMBL8544878

SCHEMBL8544878

COC(=O)CNCC(=O)OC.Cc1cc(-c2ccccc2)cc(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
PTGS1 P23219 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL4546868 0.76 ADORA2A (0.53) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL1221520 0.75 MAPT (0.54) LTB4RMEN1KMT2AALDH1A1KDM4E
SCHEMBL27430949 0.74 ADORA2A (0.52) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL12590483 0.74 SMN1; SMN2 (0.54) LTB4RMEN1KMT2AALDH1A1KDM4E
Biphenyl SCHEMBL28987640 0.73 POLB (0.46) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL1997225 0.73 ALDH1A1 (0.51) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL8224583 0.73 KDM4E (0.41) LTB4RKMT2AALDH1A1KDM4EMAPT
SCHEMBL4753824 0.71 KMT2A (0.50) MEN1KMT2AKDM4ESMN1; SMN2GAA
SCHEMBL9545039 0.70 NPC1 (0.53) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL28477802 0.69 ALDH1A1 (0.51) MEN1KMT2AALDH1A1KDM4EMAPT

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-0525825-B1 Substituted dicarboxy pyridine compounds EG & G WALLAC OY (FI) 1998-12-09 EP disclosed
EP-0195413-B1 Substituted pyridine derivatives BAXTER DIAGNOSTICS INC (US) 1993-11-18 EP disclosed
US-4925804-A REPORTER MECHANISM FOR BIOSPECIFIC REACTIONS BAXTER INTERNATIONAL INC. (US) 1990-05-15 US disclosed
US-4761481-A FLUORESCENT CHELATES, AMINE ACID COMPOUNDS BAXTER TRAVENOL LABORATORIES, INC. (US) 1988-08-02 US disclosed