SCHEMBL8429153

SCHEMBL8429153

CC(C)COC(=O)N(NC=O)[C@@H](Cc1ccccc1)C(=O)Oc1cccc(NC(=N)N)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.37
RAB9A P51151 2/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
KLKB1 P03952 1/20 0.36
PRSS1 P07477 1/20 0.36
USP2 O75604 1/20 0.35
BCHE P06276 9/20 0.35
ACHE P22303 8/20 0.35
LTA4H P09960 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL8431034 0.91 ALDH1A1 (0.41) RAB9AF2PLGPLAUPLAT
SCHEMBL8431230 0.91 RAB9A (0.40) RAB9AF2PLGPLAUPLAT
SCHEMBL8430957 0.91 PLAU (0.38) RAB9AF2PLGPLAUPLAT
SCHEMBL8432438 0.90 RAB9A (0.37) SIRT2RAB9AF2PLGPLAU
SCHEMBL8428894 0.88 BACE1 (0.36) RAB9AF2PLGPLAUPLAT
SCHEMBL8429053 0.88 BACE1 (0.36) RAB9AF2PLGPLAUPLAT
SCHEMBL8429038 0.87 TACR1 (0.34) USP2
SCHEMBL8431432 0.86 RAB9A (0.36) SIRT2RAB9AF2PLGPLAU
SCHEMBL8430965 0.85 PDK1 (0.36) SIRT2RAB9AF2PLGPLAU
SCHEMBL8521198 0.84 TSHR (0.41) RAB9AF2PRSS1

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
US-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US claimed
US-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed