SCHEMBL4176308

SCHEMBL4176308

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.43
OPRD1 P41143 3/20 0.42
KCNH2 Q12809 2/20 0.42
OPRM1 P35372 2/20 0.42
MRGPRX2 Q96LB1 1/20 0.42
CHRM3 P20309 1/20 0.42
HRH2 P25021 1/20 0.42
HTR2A P28223 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL4185435 0.88 TSHR (0.45) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL4185156 0.83 MEN1 (0.47) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL3282790 0.78 MEN1 (0.43) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL10351528 0.78 TSHR (0.45) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL4965733 0.76 TSHR (0.53) TSHRNPC1RAB9A
SCHEMBL28261783 0.76 MEN1 (0.46) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL5271778 0.75 MEN1 (0.58) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL7149533 0.75 MEN1 (0.58) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL5146172 0.75 MEN1 (0.58) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL27168273 0.75 PGR (0.54) TSHRMEN1KMT2ALMNAALDH1A1

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