SCHEMBL472930

SCHEMBL472930

C=C(C(=O)OC(C)C)C(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KLK7 P49862 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL1395452 0.81 KMT2A (0.52) HPGDL3MBTL1TSHRKLK7NPSR1
SCHEMBL27718810 0.79 KLK7 (0.60) SMN1; SMN2L3MBTL1TSHRHTTKLK7
SCHEMBL28194374 0.77 L3MBTL1 (0.45) SMN1; SMN2HPGDL3MBTL1HTTKLK7
SCHEMBL16673231 0.76 HCAR2 (0.51) SMN1; SMN2HPGDLMNANPSR1MAPT
SCHEMBL585336 0.76 CTSD (0.54) SMN1; SMN2HPGDL3MBTL1LMNANPSR1
SCHEMBL7640785 0.76 GAA (0.49) SMN1; SMN2GAATSHRHTTPDCD1
SCHEMBL4902023 0.76 TDP1 (0.50) SMN1; SMN2GAAHPGDL3MBTL1TSHR
SCHEMBL9358977 0.75 TSHR (0.50) SMN1; SMN2GAATSHRPTGS1
SCHEMBL472921 0.74 LMNA (0.50) SMN1; SMN2GAAHPGDL3MBTL1TSHR
SCHEMBL1242478 0.74 HPGD (0.46) SMN1; SMN2HPGDL3MBTL1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2412361-A1 Kit of parts, method of producing and use thereof 3M Innovative Properties Company (US) 2012-02-01 EP disclosed
US-20110224326-A1 FILLER CONTAINING COMPOSITION AND PROCESS FOR PRODUCTION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY 2011-09-15 US disclosed
US-7968617-B2 Filler containing composition and process for production and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-06-28 US disclosed