SCHEMBL7338014

SCHEMBL7338014

COc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NC(Cc2ccc(OCc3ccccc3)cc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.54
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
BMP1 P13497 2/20 0.51
IL1RN P18510 1/20 0.51
ERAP2 Q6P179 1/20 0.51
ERAP1 Q9NZ08 1/20 0.51
REN P00797 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CTSL P07711 3/20 0.49
CTSS P25774 3/20 0.49
CTSK P43235 3/20 0.49
ADAMTS4 O75173 2/20 0.49
MMP3 P08254 1/20 0.49
MMP1 P03956 1/20 0.49
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

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
SCHEMBL7338005 1.00 BCL2 (0.54) BCL2MMP2MMP9BMP1IL1RN
SCHEMBL7346933 0.93 BCL2 (0.53) BCL2MMP2IL1RNERAP2ERAP1
SCHEMBL7345731 0.93 BCL2 (0.53) BCL2IL1RNERAP2ERAP1REN
SCHEMBL7346927 0.93 BCL2 (0.53) BCL2MMP2IL1RNERAP2ERAP1
SCHEMBL7342076 0.93 ALDH1A1 (0.54) BCL2IL1RNERAP2ERAP1REN
SCHEMBL7338407 0.91 BCL2 (0.51) BCL2IL1RNERAP2ERAP1REN
SCHEMBL7338412 0.91 BCL2 (0.51) BCL2IL1RNERAP2ERAP1REN
SCHEMBL7342512 0.89 CTSL (0.51) BCL2IL1RNERAP2ERAP1REN
SCHEMBL7347981 0.89 CTSL (0.51) BCL2IL1RNERAP2ERAP1REN
SCHEMBL7345840 0.88 IL1RN (0.53) BCL2MMP9IL1RNERAP2ERAP1

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