SCHEMBL3388689

SCHEMBL3388689

CCCCOC(=O)NC1(NC(=O)OCCCC)CC2C=CC1C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
MCL1 Q07820 1/20 0.37
EPHX2 P34913 3/20 0.37
EPHX1 P07099 1/20 0.36
ACHE P22303 6/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
CASP1 P29466 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL7204575 0.76 CYP2C19 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL200578 0.75 CYP2C19 (0.36) SMN1; SMN2ALDH1A1HPGDMAPK1EPHX2
SCHEMBL5360193 0.73 ELANE (0.35) SMN1; SMN2ALDH1A1HPGDMAPK1EPHX2
SCHEMBL5366311 0.72 CYP2D6 (0.34) SMN1; SMN2ALDH1A1HPGDMAPK1EPHX2
SCHEMBL5836998 0.72 EPHX2 (0.34) ALDH1A1EPHX2CYP2D6CYP2C19L3MBTL1
SCHEMBL32689139 0.71 EPHX2 (0.38) ALDH1A1MAPK1EPHX2EPHX1CYP2D6
SCHEMBL5837477 0.71 CYP2D6 (0.33) ALDH1A1HPGDEPHX2CYP2D6CYP2C19
SCHEMBL5837771 0.71 EPHX2 (0.36) ALDH1A1EPHX2CYP2D6CYP2C19MEN1
SCHEMBL533667 0.71 EPHX2 (0.62) EPHX2L3MBTL1
SCHEMBL30061004 0.70 EPHX1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1621608-B1 NOVEL BACTERIA CAPABLE OF BREAKING URETHANE BOND JAPAN SCIENCE & TECH AGENCY (JP) 2010-12-08 EP disclosed
US-7547537-B2 Urethane-bond-degrading bacteria JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-06-16 US disclosed
US-20070099285-A1 Novel urethane-bond-degrading bacteria JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-05-03 US disclosed
EP-1621608-A1 NOVEL FUNGUS CAPABLE OF BREAKING URETHANE BOND Japan Science and Technology Agency (JP) 2006-02-01 EP disclosed