SCHEMBL4185435

SCHEMBL4185435

CCCC(=O)OC(C)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.41
ACE P12821 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 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
SCHEMBL4176308 0.88 TSHR (0.47) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL4185156 0.81 MEN1 (0.47) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL10333475 0.78 CTSK (0.50) TSHRNPC1RAB9AACE
SCHEMBL4223740 0.78 CTSK (0.50) TSHRNPC1RAB9AACE
SCHEMBL11653002 0.76 TP53 (0.44) TSHRKMT2AMEN1LMNAALDH1A1
SCHEMBL3282790 0.76 MEN1 (0.43) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL11867821 0.75 ALDH1A1 (0.44) TSHRLMNAALDH1A1
SCHEMBL20503326 0.74 NPC1 (0.47) TSHRKMT2ANPC1RAB9ALMNA
SCHEMBL21850415 0.74 ACE (0.47) TSHRNPC1RAB9AACE
SCHEMBL31534045 0.74 CTSK (0.53) TSHRNPC1RAB9AACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1264212-B1 ELEMENTS FOR FORMING PRINT-OUT IMAGES DU PONT (US) 2009-02-18 EP claimed
US-6869755-B2 Elements for forming print-out images E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-03-22 US claimed
EP-1264212-A2 ELEMENTS FOR FORMING PRINT-OUT IMAGES E. I. du Pont de Nemours and Company (US) 2002-12-11 EP claimed
US-20020146649-A1 Elements for forming print-out images E. I. DU PONT DE NEMOURS AND COMPANY 2002-10-10 US claimed
WO-2001067175-A2 ELEMENTS FOR FORMING PRINT-OUT IMAGES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2001-09-13 WO claimed
EP-1264212-B1 ELEMENTS FOR FORMING PRINT-OUT IMAGES DU PONT (US) 2009-02-18 EP disclosed
US-6869755-B2 Elements for forming print-out images E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-03-22 US disclosed
EP-1264212-A2 ELEMENTS FOR FORMING PRINT-OUT IMAGES E. I. du Pont de Nemours and Company (US) 2002-12-11 EP disclosed
US-20020146649-A1 Elements for forming print-out images E. I. DU PONT DE NEMOURS AND COMPANY 2002-10-10 US disclosed
WO-2001067175-A2 ELEMENTS FOR FORMING PRINT-OUT IMAGES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2001-09-13 WO disclosed