SCHEMBL1668907

SCHEMBL1668907

COC(=O)[C@H]1CC[C@@H](CNC(=O)c2ccccc2N)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
KDM4E B2RXH2 7/20 0.48
HPGD P15428 7/20 0.48
RCE1 Q9Y256 1/20 0.48
USP2 O75604 1/20 0.45
HSD17B10 Q99714 3/20 0.44
CFTR P13569 1/20 0.44
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR4 Q13639 1/20 0.43
CHRM1 P11229 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL12798265 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDRCE1USP2
SCHEMBL11893819 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDRCE1USP2
SCHEMBL1666506 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDRCE1USP2
Acetic Acid SCHEMBL11893957 0.96 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDRCE1USP2
Acetic Acid SCHEMBL11893956 0.96 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDRCE1USP2
SCHEMBL2154639 0.88 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDRCE1HSD17B10
SCHEMBL13163161 0.86 HTR7 (0.50) ALDH1A1KDM4EHPGDCHRM1GNRHR
SCHEMBL12799245 0.85 KDM4E (0.52) ALDH1A1KDM4EHPGDRCE1HSD17B10
SCHEMBL5670080 0.85 KDM4E (0.52) ALDH1A1KDM4EHPGDRCE1HSD17B10
SCHEMBL5670087 0.85 KDM4E (0.52) ALDH1A1KDM4EHPGDRCE1HSD17B10

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-2485728-A1 WNT PATHWAY ANTAGONISTS Siena Biotech S.p.a. (IT) 2012-08-15 EP disclosed
WO-2011042145-A1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2011-04-14 WO disclosed