SCHEMBL3476376

SCHEMBL3476376

CCC1CN=C(c2ccccc2C2=NCC(CC)O2)O1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.39
CYP2A6 P11509 1/20 0.34
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALPG P10696 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NOS2 P35228 1/20 0.31
LTA4H P09960 1/20 0.31
MAOA P21397 1/20 0.30
HPGD P15428 2/20 0.30
USP1 O94782 1/20 0.30
WDR48 Q8TAF3 1/20 0.30
METAP1 P53582 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL3476441 0.79 NPC1 (0.38) ALDH1A1KDM4E
SCHEMBL2783541 0.75 ALDH1A1 (0.55) ALDH1A1KDM4ENOS2HPGDTSHR
SCHEMBL15282121 0.69 ALDH1A1 (0.50) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL31158570 0.68 GRM2 (0.42)
SCHEMBL34460865 0.68 GRM2 (0.42)
SCHEMBL13256248 0.67 ALDH1A1 (0.40) ALDH1A1KDM4ECYP2A6CYP1A2SMN1; SMN2
SCHEMBL13415445 0.66
SCHEMBL8968728 0.66
SCHEMBL9255732 0.66 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HPGDUSP1WDR48
SCHEMBL6718678 0.65 ALDH1A1 (0.35) ALDH1A1KDM4E

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
US-7659000-B2 Tie layer material for such polymer pairs is prepared, preferably in the extruder, by melt reaction of one of the two polymers, a coupling agent reactive with both polymers and optionally a catalyst BOSTON SCIENTIFIC SCIMED, INC. (US) 2010-02-09 US disclosed
EP-1740378-B9 ADHESION TECHNIQUE FOR INCOMPATIBLE POLYMERS USING MODIFIED POLYMER TIE LAYERS BOSTON SCIENT LTD (BB) 2008-08-06 EP disclosed
EP-1740378-B1 ADHESION TECHNIQUE FOR INCOMPATIBLE POLYMERS USING MODIFIED POLYMER TIE LAYERS BOSTON SCIENT LTD (BB) 2008-04-23 EP disclosed
US-20050227087-A1 Adhesion technique for incompatible polymers using modified polymer tie layers SCIMED LIFE SYSTEMS, INC. (US) 2005-10-13 US disclosed