SCHEMBL8709243

SCHEMBL8709243

CC(C)(C)OC(=O)N(C[C@@H](O)[C@@H](N)Cc1ccccc1)NCC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.42
KLK5 Q9Y337 1/20 0.39
BCHE P06276 1/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
ATM Q13315 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRK1 P41145 1/20 0.37

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
SCHEMBL8709246 1.00 REN (0.42) RENKLK5BCHEMETAP2METAP1
SCHEMBL8711623 1.00 REN (0.42) RENKLK5BCHEMETAP2METAP1
SCHEMBL8712609 0.88 REN (0.53) RENKLK5ATMKMT2A
SCHEMBL8712611 0.88 REN (0.53) RENKLK5ATMKMT2A
SCHEMBL8712293 0.84 REN (0.43) RENKLK5
SCHEMBL8709818 0.84 REN (0.43) RENKLK5
SCHEMBL8709813 0.84 REN (0.43) RENKLK5
SCHEMBL8708800 0.84 ATM (0.44) KLK5ATM
SCHEMBL8708798 0.84 ATM (0.44) KLK5ATM
SCHEMBL6442715 0.79 CTSD (0.51) RENKLK5BCHE

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
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed