SCHEMBL10378293

SCHEMBL10378293

COC(=O)C/C=C/[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.53
ATM Q13315 1/20 0.51
ACE P12821 1/20 0.50
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
PKM P14618 2/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 2/20 0.49
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
AGTR1 P30556 1/20 0.49
RAB9A P51151 1/20 0.49
CTSS P25774 3/20 0.49
CTSK P43235 3/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
KLK5 Q9Y337 2/20 0.47

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
SCHEMBL10378295 1.00 REN (0.53) RENATMACEALDH1A1LMNA
SCHEMBL10378294 1.00 REN (0.53) RENATMACEALDH1A1LMNA
SCHEMBL7324107 0.90 REN (0.54) RENATMACEALDH1A1LMNA
SCHEMBL7330614 0.90 REN (0.54) RENATMACEALDH1A1LMNA
SCHEMBL12137049 0.89 ATM (0.61) RENATMACEALDH1A1LMNA
SCHEMBL2736190 0.89 ATM (0.61) RENATMACEALDH1A1LMNA
SCHEMBL8030523 0.86 ATM (0.54) RENATMACEALDH1A1LMNA
SCHEMBL6447409 0.86 ATM (0.54) RENATMACEALDH1A1LMNA
SCHEMBL10548656 0.86 ATM (0.54) RENATMACEALDH1A1LMNA
SCHEMBL6447414 0.86 ATM (0.54) RENATMACEALDH1A1LMNA

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-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO disclosed