SCHEMBL7336248

SCHEMBL7336248

Cc1ccccc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.51
REN P00797 1/20 0.50
IL1RN P18510 1/20 0.50
ERAP2 Q6P179 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
YAP1 P46937 2/20 0.46
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
CTSK P43235 4/20 0.46
CTSL P07711 3/20 0.46
PTPN1 P18031 1/20 0.45
CTSS P25774 3/20 0.45

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
SCHEMBL7336252 1.00 BCL2 (0.51) BCL2RENIL1RNERAP2ERAP1
SCHEMBL7345840 0.91 IL1RN (0.53) BCL2RENIL1RNERAP2ERAP1
SCHEMBL7338005 0.88 BCL2 (0.54) BCL2RENIL1RNERAP2ERAP1
SCHEMBL7338014 0.88 BCL2 (0.54) BCL2RENIL1RNERAP2ERAP1
SCHEMBL7345731 0.87 BCL2 (0.53) BCL2RENIL1RNERAP2ERAP1
SCHEMBL7346933 0.87 BCL2 (0.53) BCL2RENIL1RNERAP2ERAP1
SCHEMBL7342076 0.87 ALDH1A1 (0.54) BCL2RENIL1RNERAP2ERAP1
SCHEMBL7346927 0.87 BCL2 (0.53) BCL2RENIL1RNERAP2ERAP1
SCHEMBL7343021 0.86 ALDH1A1 (0.53) BCL2RENIL1RNERAP2ERAP1
SCHEMBL7343024 0.86 ALDH1A1 (0.53) BCL2RENIL1RNERAP2ERAP1

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-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US claimed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed