SCHEMBL9830685

SCHEMBL9830685

CCOC(=O)CCNCc1cccc(C)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.49
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 3/20 0.47
MAPK1 P28482 1/20 0.47
HSP90AA1 P07900 1/20 0.46
MMP13 P45452 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PPID Q08752 1/20 0.43
SLC26A6 Q9BXS9 1/20 0.42

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
SCHEMBL16311265 0.92 LTA4H (0.52) LTA4HKMT2AKDM4EMAPK1HSP90AA1
SCHEMBL16839016 0.87 LTA4H (0.55) LTA4HKDM4EMAPK1
SCHEMBL5939725 0.86 SCN8A (0.52) LTA4HKMT2AMEN1SLC26A6
SCHEMBL16839753 0.86 CHRM2 (0.54) LTA4HKMT2AKDM4EALDH1A1MEN1
SCHEMBL6325880 0.86 LTA4H (0.47) LTA4HKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL29676705 0.86 CYP1A2 (0.55) LTA4HKMT2AKDM4EHSP90AA1ALDH1A1
SCHEMBL16794151 0.86 CYP1A2 (0.55) LTA4HKMT2AKDM4EHSP90AA1ALDH1A1
SCHEMBL11954384 0.85 KMT2A (0.53) LTA4HKMT2AKDM4EMAPK1MMP13
SCHEMBL549268 0.85 LTA4H (0.60) LTA4HKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL16839644 0.85 LTA4H (0.52) LTA4HSMN1; SMN2ALDH1A1PPID

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP claimed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO claimed
WO-2021178488-A1 EIF4E INHIBITORS AND USES THEREOF PIC Therapeutics, Inc. (US) 2021-09-10 WO disclosed
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP disclosed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO disclosed
US-4925939-A 6,7-dihydropyrrol[3,4-c]pyrido[2,3-d]pyrimidine derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-05-15 US disclosed