SCHEMBL6340488

SCHEMBL6340488

CCOC(=O)CCCC[C@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FKBP1A P62942 2/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE8B O95263 1/20 0.36

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
SCHEMBL26547634 1.00 ATM (0.42) ATMMEN1KMT2AALDH1A1USP2
SCHEMBL29550830 0.93 ATM (0.44) ATMMEN1KMT2AALDH1A1USP2
SCHEMBL4400854 0.93 ATM (0.44) ATMMEN1KMT2AALDH1A1USP2
SCHEMBL29550642 0.93 ATM (0.44) ATMMEN1KMT2AALDH1A1USP2
SCHEMBL6921210 0.91 ATM (0.47) ATMMEN1KMT2AALDH1A1HSD17B10
SCHEMBL16551790 0.91 ATM (0.47) ATMMEN1KMT2AALDH1A1HSD17B10
SCHEMBL6350025 0.91 ATM (0.47) ATMMEN1KMT2AALDH1A1HSD17B10
SCHEMBL24739379 0.88 ATM (0.48) ATMMEN1KMT2AALDH1A1HSD17B10
SCHEMBL29551182 0.88 ATM (0.48) ATMMEN1KMT2AALDH1A1HSD17B10
SCHEMBL29039237 0.88 SMN1; SMN2 (0.41) ATMMEN1KMT2AALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878736-B1 Histamine H3 receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2005-04-12 US disclosed