SCHEMBL4744724

SCHEMBL4744724

C=Cc1ccc([C](c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.50
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2A13 Q16696 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALOX15 P16050 2/20 0.45
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
HBB P68871 1/20 0.45
HSD17B3 P37058 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RELA Q04206 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
TLR9 Q9NR96 1/20 0.44
PTGS1 P23219 2/20 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
SCHEMBL178888 0.87 CYP2A6 (0.58) APPALDH1A1MAPTCYP2A6CYP2A13
Bromide SCHEMBL8864770 0.85 CYP2A6 (0.56) APPALDH1A1MAPTCYP2A6CYP2A13
Hydrochloric Acid SCHEMBL2806293 0.85 CYP2A6 (0.56) APPALDH1A1MAPTCYP2A6CYP2A13
SCHEMBL18664601 0.81 CYP2A6 (0.52) APPALDH1A1MAPTCYP2A6CYP2A13
SCHEMBL13857829 0.81 RELA (0.65) APPALDH1A1MAPTCYP2A6CYP2A13
SCHEMBL13857827 0.81 RELA (0.65) APPALDH1A1MAPTCYP2A6CYP2A13
SCHEMBL21294111 0.79 APP (0.50) APPALDH1A1MAPTCYP2A6CYP2A13
SCHEMBL10338213 0.77 SLC2A1 (0.70) APPALDH1A1MAPTCYP2A6CYP2A13
SCHEMBL279039 0.77 MAOB (0.49) ALDH1A1MAPTHPGDKMT2AHSD17B3
SCHEMBL8740584 0.76 ALDH1A1 (0.68) APPALDH1A1MAPTCYP2A6CYP2A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008109008-A1 ENDOTRACHEAL CUFF AND TECHNIQUE FOR USING THE SAME NELLCOR PURITAN BENNETT LLC (US) 2008-09-12 WO disclosed
US-20080210243-A1 Endotracheal cuff and technique for using the same COVIDIEN LP 2008-09-04 US disclosed
US-7066904-B2 Triggered release hydrogel drug delivery system BOSTON SCIENTIFIC SCIMED, INC. (US) 2006-06-27 US disclosed
US-20030114791-A1 Triggered release hydrogel drug delivery system BOSTON SCIENTIFIC SCIMED, INC. 2003-06-19 US disclosed
US-6524274-B1 Triggered release hydrogel drug delivery system SCIMED LIFE SYSTEMS, INC. 2003-02-25 US disclosed
EP-0836429-A4 TRIGGERED RELEASE DRUG DELIVERY SYSTEM BOSTON SCIENT CORP (US) 1998-12-16 EP disclosed
EP-0836429-A1 TRIGGERED RELEASE DRUG DELIVERY SYSTEM BOSTON SCIENTIFIC CORPORATION (US) 1998-04-22 EP disclosed
WO-1996039949-A1 TRIGGERED RELEASE DRUG DELIVERY SYSTEM BOSTON SCIENTIFIC CORPORATION (US) 1996-12-19 WO disclosed