SCHEMBL7338407

SCHEMBL7338407

CC(C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 8/20 0.51
MCL1 Q07820 3/20 0.51
ITGA4 P13612 1/20 0.48
ITGB7 P26010 1/20 0.48
REN P00797 1/20 0.47
IL1RN P18510 1/20 0.47
ERAP2 Q6P179 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47
CTSL P07711 3/20 0.47
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
ADAMTS4 O75173 1/20 0.46
MMP13 P45452 1/20 0.46

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
SCHEMBL7338412 1.00 BCL2 (0.51) BCL2MCL1ITGA4ITGB7REN
SCHEMBL7338005 0.91 BCL2 (0.54) BCL2RENIL1RNERAP2ERAP1
SCHEMBL7338014 0.91 BCL2 (0.54) BCL2RENIL1RNERAP2ERAP1
SCHEMBL7346933 0.90 BCL2 (0.53) BCL2MCL1RENIL1RNERAP2
SCHEMBL7342076 0.90 ALDH1A1 (0.54) BCL2MCL1RENIL1RNERAP2
SCHEMBL7346927 0.90 BCL2 (0.53) BCL2MCL1RENIL1RNERAP2
SCHEMBL7345731 0.90 BCL2 (0.53) BCL2MCL1RENIL1RNERAP2
SCHEMBL7342062 0.86 IL1RN (0.49) ITGA4ITGB7RENIL1RNERAP2
SCHEMBL7342058 0.86 IL1RN (0.49) ITGA4ITGB7RENIL1RNERAP2
SCHEMBL7342512 0.86 CTSL (0.51) BCL2MCL1RENIL1RNERAP2

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