SCHEMBL5574740

SCHEMBL5574740

CCOC(CO)(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES1 P23141 9/20 0.49
CES2 O00748 7/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SRC P12931 1/20 0.41
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
KCNN4 O15554 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL1255415 0.90 LMNA (0.50) CES1CES2ALDH1A1MAPTSRC
SCHEMBL7911425 0.90 CES1 (0.49) CES1CES2ALDH1A1MAPTSRC
SCHEMBL36097 0.85 CES1 (0.59) CES1CES2SRCLMNAKMT2A
SCHEMBL14932471 0.84 CES1 (0.44) CES1CES2ALDH1A1MAPTSRC
SCHEMBL7945147 0.84 CES1 (0.49) CES1CES2ALDH1A1MAPTSRC
SCHEMBL8020102 0.83 CYP3A4 (0.41) CES1CES2ALDH1A1MAPTLMNA
SCHEMBL11098719 0.83 ALDH1A1 (0.46) CES1CES2ALDH1A1MAPTSRC
SCHEMBL6201588 0.83 CES1 (0.43) CES1CES2ALDH1A1MAPTSRC
SCHEMBL4810203 0.83 CES1 (0.45) CES1CES2ALDH1A1MAPTSRC
SCHEMBL14932474 0.82 CES1 (0.42) CES1CES2ALDH1A1MAPTSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4266005-A Photosensitive elastomeric composition ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1981-05-05 US claimed
EP-1786552-A1 METHOD OF MAKING POLYMER MONOLITH COMPOSITE SUBSTRATE AND RESULTING SUBSTRATE AS WELL AS BEADS AND BEAD ARRAY Applera Corporation (US) 2007-05-23 EP disclosed
US-20060078983-A1 Polymer monolith substrate APPLERA CORPORATION (US) 2006-04-13 US disclosed
WO-2006026378-A1 METHOD OF MAKING POLYMER MONOLITH COMPOSITE SUBSTRATE AND RESULTING SUBSTRATE AS WELL AS BEADS AND BEAD ARRAY APPLERA CORPORATION (US) 2006-03-09 WO disclosed
US-4868091-A USING A BISACYLPHOSPHINE OXIDE PHOTOINITIATOR, UNSATURATED COMPOUND AND POLYMERIC BINDER; SHORT EXPOSURE TIME; NEWSPAPER PRINTING BASF AKTIENGESELLSCHAFT (DE) 1989-09-19 US disclosed
US-4385109-A ACYL PHOSPHINE OXIDE PHOTOINITIATOR BASF AKTIENGESELLSCHAFT (DE) 1983-05-24 US disclosed
US-4292152-A UNSATURATED MONOMER, BINDER BASF AKTIENGESELLSCHAFT (DE) 1981-09-29 US disclosed