SCHEMBL7778347

SCHEMBL7778347

CC(C)N(C(=O)C[NH])C(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
SRD5A2 P31213 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL944640 0.77 MEN1 (0.39) ALDH1A1SRD5A2MEN1KMT2APKM
SCHEMBL6538714 0.74 ALDH1A1 (0.37) ALDH1A1SRD5A2MEN1KMT2APKM
SCHEMBL6538716 0.74 ALDH1A1 (0.37) ALDH1A1SRD5A2MEN1KMT2APKM
SCHEMBL4146905 0.74 ALDH1A1 (0.37) ALDH1A1SRD5A2MEN1KMT2APKM
SCHEMBL5695058 0.72 ALDH1A1 (0.39) ALDH1A1SRD5A2MEN1KMT2APKM
SCHEMBL10106489 0.72 ALDH1A1 (0.46) ALDH1A1SRD5A2MEN1KMT2APKM
SCHEMBL2984291 0.72 ALDH1A1 (0.45) ALDH1A1SRD5A2MEN1KMT2APKM
SCHEMBL21561629 0.72 ALDH1A1 (0.44) ALDH1A1SRD5A2MEN1KMT2APKM
SCHEMBL5207902 0.72 ALDH1A1 (0.36) ALDH1A1SRD5A2MEN1KMT2APKM
SCHEMBL8904981 0.72 ALDH1A1 (0.36) ALDH1A1SRD5A2MEN1KMT2APKM

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-1121372-A1 ADENINE DERIVATIVES Pfizer Limited (GB) 2001-08-08 EP claimed
WO-2000023457-A1 ADENINE DERIVATIVES PFIZER LIMITED (GB) 2000-04-27 WO claimed