SCHEMBL4176309

SCHEMBL4176309

CCC(=O)OCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
MAOB P27338 2/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
RORC P51449 1/20 0.46
CHRM1 P11229 3/20 0.46
CHRM2 P08172 2/20 0.46
CHRM3 P20309 2/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL27686316 0.92 TSHR (0.49) TSHRSMN1; SMN2MAOBLMNACYP1A2
SCHEMBL28805984 0.91 TSHR (0.45) TSHRSMN1; SMN2MAOBLMNACYP1A2
SCHEMBL4185438 0.88 TDP1 (0.51) TSHRSMN1; SMN2MAOBLMNACYP1A2
SCHEMBL23694377 0.85 CDYL (0.54) TSHRSMN1; SMN2MAOBLMNACYP1A2
SCHEMBL28451212 0.84 LMNA (0.44) TSHRSMN1; SMN2MAOBLMNACYP1A2
SCHEMBL3223085 0.83 TSHR (0.69) TSHRSMN1; SMN2MAOBLMNACYP1A2
SCHEMBL23694499 0.83 CHRM1 (0.51) TSHRSMN1; SMN2ALDH1A1TDP1CHRM1
SCHEMBL23694602 0.80 TDP1 (0.62) TSHRSMN1; SMN2ALDH1A1TDP1KMT2A
SCHEMBL12671106 0.80 TSHR (0.65) TSHRSMN1; SMN2MAOBLMNACYP1A2
SCHEMBL23694600 0.79 LTA4H (0.52) TSHRMAOBLMNAALDH1A1CYP3A4

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