SCHEMBL7216943

SCHEMBL7216943

CC(C)(C)OC(=O)N[C@](C)(I)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.54
AKT1 P31749 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
PPARA Q07869 1/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 2/20 0.45
IDO1 P14902 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
CTSS P25774 1/20 0.43
MAPT P10636 1/20 0.43
CTSL P07711 1/20 0.43
LMNA P02545 1/20 0.41

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
SCHEMBL1728479 0.86 SYK (0.53) SYKAKT1MEN1KMT2ACA12
SCHEMBL21239559 0.82 SYK (0.53) SYKAKT1MEN1KMT2ACA12
SCHEMBL27524219 0.82 SYK (0.50) SYKAKT1MEN1KMT2ACA12
SCHEMBL29291807 0.82 SYK (0.53) SYKAKT1MEN1KMT2ACA12
SCHEMBL8312542 0.82 SYK (0.50) SYKAKT1MEN1KMT2ACA12
SCHEMBL7432755 0.82 SYK (0.53) SYKAKT1MEN1KMT2ACA12
SCHEMBL7434905 0.82 SYK (0.50) SYKAKT1MEN1KMT2ACA12
SCHEMBL6936010 0.81 SYK (0.49) SYKAKT1MEN1KMT2ACA12
SCHEMBL19862502 0.81 SYK (0.49) SYKAKT1MEN1KMT2ACA12
SCHEMBL22648245 0.81 SYK (0.49) SYKAKT1MEN1KMT2ACA12

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
US-6576766-B1 Competitive binding of phosphotyrosine-containing protein; veterinary medicine ARIAD PHARMACEUTICALS, INC. 2003-06-10 US disclosed
EP-1030853-A1 NOVEL SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 2000-08-30 EP disclosed
WO-1999024442-A1 NOVEL SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 1999-05-20 WO disclosed