SCHEMBL4581842

SCHEMBL4581842

CC(C)(C)C(NC(=O)O)C(Cc1ccccc1)NC(=O)c1coc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KLK7 P49862 1/20 0.38
KMT2A Q03164 2/20 0.38
CCR1 P32246 2/20 0.37
CTSL P07711 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CTRB1 P17538 5/20 0.36
HSP90AA1 P07900 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35

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
SCHEMBL4582505 0.81 HPGD (0.54) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL4582450 0.80 CTRB1 (0.38) LMNAKMT2ACCR1CTSLNPC1
SCHEMBL4381061 0.79 RAB9A (0.41) ALDH1A1HPGDSMN1; SMN2KMT2ACCR1
SCHEMBL4374524 0.77 ALDH1A1 (0.47) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL4583485 0.77 ALDH1A1 (0.47) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL4378512 0.76 AKT1 (0.40) ALDH1A1LMNAHPGDKMT2ACCR1
SCHEMBL4375386 0.76 ACKR3 (0.43) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL4382189 0.76 ACKR3 (0.43) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL4543936 0.75 KMT2A (0.41) HSD17B10KMT2ACCR1CTSLCTRB1
SCHEMBL4583765 0.75 CTRB1 (0.47) ALDH1A1LMNATP53HPGDSMN1; SMN2

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-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed