SCHEMBL1436716

SCHEMBL1436716

CCCCCOc1ccc(C(=O)CC(=O)OCC)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59
PLA2G4B P0C869 5/20 0.57
THRA P10827 2/20 0.57
THRB P10828 2/20 0.57
MMP1 P03956 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
RARB P10826 3/20 0.55
MAPT P10636 1/20 0.54
ALPI P09923 1/20 0.53
PLA2G4A P47712 1/20 0.52

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
SCHEMBL31439624 0.99 TP53 (0.57) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL8403564 0.99 TP53 (0.61) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL9505212 0.99 TP53 (0.61) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL9172925 0.97 MMP1 (0.58) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL7913066 0.88 TP53 (0.70) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL2866720 0.86 TP53 (0.73) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL11830013 0.86 NPC1 (0.62) PLA2G4BL3MBTL1MAPT
SCHEMBL8754539 0.86 THRA (0.65) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL1777728 0.85 ALDH1A1 (0.55) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL12020294 0.84 MMP1 (0.61) TP53TSHRPLA2G4BTHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278243-B2 Laser imaging DATALASE LTD. (GB) 2012-10-02 US disclosed
EP-1704057-B1 LASER IMAGING DATALASE LTD (GB) 2011-03-30 EP disclosed
US-20100075848-A1 Laser Imaging DATALASE LTD. (GB) 2010-03-25 US disclosed
US-20080160421-A1 HOLOGRAM RECORDING MEDIUM TDK CORPORATION (JP) 2008-07-03 US disclosed
EP-1704057-A1 LASER IMAGING Sherwood Technology LTD. (GB) 2006-09-27 EP disclosed
WO-2005068207-A1 LASER IMAGING DATALASE LTD. (GB) 2005-07-28 WO disclosed