SCHEMBL16060720

SCHEMBL16060720

NNC(C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.50
CTSS P25774 1/20 0.50
ALDH1A1 P00352 3/20 0.49
ATM Q13315 1/20 0.48
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL4047441 0.81 SMN1; SMN2 (0.60) KMT2AMEN1CA12CA1CA2
SCHEMBL23593786 0.79 KMT2A (0.60) ALDH1A1KMT2AMEN1LMNA
SCHEMBL15202632 0.78 ALDH1A1 (0.51) CTSLCTSSALDH1A1ATMSMN1; SMN2
SCHEMBL7694383 0.78 ALDH1A1 (0.59) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL17826766 0.78 ALDH1A1 (0.55) CTSLCTSSALDH1A1ATMKMT2A
SCHEMBL11472824 0.77 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL1745793 0.77 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL8804399 0.77 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL10525510 0.77 ALDH1A1 (0.57) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL11526737 0.77 ALDH1A1 (0.57) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968593-A1 BIOLOGICALLY ACTIVE MOLECULES, CONJUGATES THEREOF, AND THERAPEUTIC USES Regeneron Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
WO-2014145090-A1 BIOLOGICALLY ACTIVE MOLECULES, CONJUGATES THEREOF, AND THERAPEUTIC USES REGENERON PHARMACEUTICALS, INC. (US) 2014-09-18 WO disclosed