SCHEMBL5422965

SCHEMBL5422965

CCC1(COCCCCCCCCOCc2ccc(Br)cc2)COC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRM3 P20309 2/20 0.33
IDO1 P14902 2/20 0.33
MAOB P27338 1/20 0.31
TSHR P16473 1/20 0.31
GBA1 P04062 1/20 0.30
UGCG Q16739 1/20 0.30
GBA2 Q9HCG7 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
SCHEMBL870036 1.00 TDP1 (0.37) TDP1L3MBTL1CHRM3IDO1MAOB
SCHEMBL21338402 1.00 TDP1 (0.37) TDP1L3MBTL1CHRM3IDO1MAOB
SCHEMBL21338401 1.00 TDP1 (0.37) TDP1L3MBTL1CHRM3IDO1MAOB
SCHEMBL5424499 0.94 TDP1 (0.34) TDP1L3MBTL1CHRM3
SCHEMBL3182495 0.90 TDP1 (0.37) TDP1L3MBTL1TSHR
SCHEMBL10071617 0.89 IDO1 (0.38) L3MBTL1CHRM3IDO1MAOBTSHR
SCHEMBL14197611 0.89 TSHR (0.36) TDP1L3MBTL1TSHR
SCHEMBL16214197 0.86 GBA1 (0.37) TDP1L3MBTL1CHRM3TSHRGBA1
SCHEMBL5423169 0.85 KDM4E (0.42) TDP1L3MBTL1MAOBTSHR
SCHEMBL20175948 0.85 CHRM3 (0.36) TDP1L3MBTL1CHRM3IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070272917-A1 Process for Improved Cross-Linking of an Organic Semiconductor Layer by Using a Plastiser Containing Oxetane Groups MERCK PATENT GMBH (DE) 2007-11-29 US disclosed
US-20070272917-A1 Process for Improved Cross-Linking of an Organic Semiconductor Layer by Using a Plastiser Containing Oxetane Groups MERCK PATENT GMBH (DE) 2007-11-29 US disclosed
US-20070272917-A1 Process for Improved Cross-Linking of an Organic Semiconductor Layer by Using a Plastiser Containing Oxetane Groups MERCK PATENT GMBH (DE) 2007-11-29 US disclosed
EP-1695394-A1 PROCESS FOR IMPROVED CROSS-LINKING OF AN ORGANIC SEMICONDUCTOR LAYER BY USING A PLASTICISER CONTAINING OXETANE GROUPS Merck Patent GmbH (DE) 2006-08-30 EP disclosed
WO-2005053056-A1 PROCESS FOR IMPROVED CROSS-LINKING OF AN ORGANIC SEMICONDUCTOR LAYER BY USING A PLASTISER CONTAINING OXETANE GROUPS MERCK PATENT GMBH (DE) 2005-06-09 WO disclosed