SCHEMBL3960044

SCHEMBL3960044

CC(C)(C)[C@](CO)(Cc1cccc(Cl)c1)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
SHMT1 P34896 2/20 0.41
SHMT2 P34897 1/20 0.41
CTBP2 P56545 1/20 0.40
CYP2B6 P20813 1/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CNR2 P34972 1/20 0.40
KIF11 P52732 1/20 0.39

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
SCHEMBL1273081 0.84 CYP3A4 (0.46) RIPK1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4073210 0.84 CYP3A4 (0.46) RIPK1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL1539491 0.84 VNN1 (0.42) RIPK1KMT2AMEN1CTSSCTSK
SCHEMBL3950927 0.82 MEN1 (0.46) KMT2AALDH1A1MEN1
SCHEMBL3722221 0.80 RIPK1 (0.40) RIPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3953353 0.78 GGPS1 (0.44) KMT2AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL4379160 0.76 FDPS (0.46) RIPK1ALDH1A1
SCHEMBL4773478 0.74 LMNA (0.41) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL4594149 0.74 RAB9A (0.43) KMT2AALDH1A1MEN1SMN1; SMN2NPC1
SCHEMBL5752814 0.74 SLC6A2 (0.42) RIPK1SHMT1SHMT2CTBP2KMT2A

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
WO-2009032653-A1 INHIBITORS OF AKT ACTIVITY SMITH KLINE BEECHAM CORPORATION (US) 2009-03-12 WO disclosed