SCHEMBL9567604

SCHEMBL9567604

CC(C)(C)C(C(=O)O)(N(CC(=O)O)Cc1ccccc1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 3/20 0.40
RECQL P46063 1/20 0.40
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8034023 0.83 RIPK1 (0.45) RIPK1KMT2AMEN1HTTL3MBTL1
SCHEMBL13151737 0.83 MEN1 (0.50) RIPK1KMT2AMEN1HTTL3MBTL1
SCHEMBL13401414 0.73 CYP2C19 (0.40) RIPK1KMT2AMEN1NPC1RAB9A
SCHEMBL13596171 0.73 MEN1 (0.47) RIPK1KMT2AMEN1HTTL3MBTL1
SCHEMBL22095153 0.73 CYP2C19 (0.47) RIPK1KMT2AMEN1HTTL3MBTL1
SCHEMBL28434224 0.72 RIPK1 (0.44) RIPK1KMT2AMEN1HTTL3MBTL1
SCHEMBL20475967 0.71 LMNA (0.47) RIPK1KMT2AMEN1HTTL3MBTL1
SCHEMBL1697396 0.71 LMNA (0.47) RIPK1KMT2AMEN1HTTL3MBTL1
SCHEMBL9397678 0.71 RIPK1 (0.46) RIPK1KMT2AMEN1HTTL3MBTL1
SCHEMBL10420406 0.71 RIPK1 (0.43) RIPK1KMT2AMEN1HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0522547-A2 Carbonyl-containing degradable chelants, uses and compositions thereof THE DOW CHEMICAL COMPANY (US) 1993-01-13 EP disclosed