SCHEMBL6682162

SCHEMBL6682162

COCCOCNC(=O)Cc1ccc(OCOCCOC)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
KDM4E B2RXH2 3/20 0.49
GLA P06280 1/20 0.49
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 1/20 0.43
HDAC1 Q13547 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
KMT2A Q03164 1/20 0.42
CA2 P00918 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
USP2 O75604 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL1303526 0.85 GAA (0.47) L3MBTL1KDM4EALDH1A1MAPTLMNA
SCHEMBL4220098 0.82 ALDH1A1 (0.47) L3MBTL1KDM4EALDH1A1MAPTLMNA
SCHEMBL6683403 0.82 ALDH1A1 (0.45) L3MBTL1KDM4EALDH1A1LMNATDP1
SCHEMBL1303637 0.81 ALDH1A1 (0.44) L3MBTL1KDM4EALDH1A1LMNATDP1
SCHEMBL6683558 0.80 ALDH1A1 (0.45) L3MBTL1KDM4EALDH1A1MAPTLMNA
SCHEMBL1302718 0.77 ALDH1A1 (0.45) L3MBTL1KDM4EALDH1A1MAPTLMNA
SCHEMBL6643777 0.77 ALDH1A1 (0.41) L3MBTL1KDM4EALDH1A1MAPTGAA
SCHEMBL1302652 0.77 ALDH1A1 (0.40) L3MBTL1KDM4EALDH1A1MAPTTDP1
SCHEMBL6684938 0.77 ALDH1A1 (0.40) L3MBTL1KDM4EALDH1A1MAPTTDP1
SCHEMBL6643773 0.75 ALDH1A1 (0.45) L3MBTL1KDM4EALDH1A1MAPTLMNA

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
WO-2004062661-A1 2-‘5-(5-CARBAMIMIDOYL-1H-HETEROARYL)-6-HYDROXYBIPHENYL-3-YL!- CARBOXYLIC ACID DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 WO disclosed