SCHEMBL9832835

SCHEMBL9832835

CCOC(=O)CCN(CC(=O)OCC)Cc1cc(OC)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.43
AOC3 Q16853 1/20 0.42
TSHR P16473 1/20 0.41
TSPO P30536 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL9829851 0.93 HSD17B10 (0.51) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL9832189 0.92 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL9829941 0.86 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9831610 0.85 ACHE (0.53)
SCHEMBL9832327 0.85 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL9833066 0.82 ALDH1A1 (0.48) ALDH1A1KMT2ALMNATSHRTSPO
SCHEMBL9833033 0.81 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL9829166 0.81 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL28192703 0.81 LPAR1 (0.47) ALDH1A1HSD17B10
SCHEMBL9830213 0.81 BCHE (0.49) ALDH1A1MEN1KMT2AKDM4ETSPO

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
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