SCHEMBL7340638

SCHEMBL7340638

CC(C)CC(NC(=O)c1ccc2ccccc2c1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.53
▸ ERAP2 Q6P179 2/20 0.52
▸ IL1RN P18510 1/20 0.52
▸ ERAP1 Q9NZ08 1/20 0.52
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ CTSS P25774 2/20 0.51
▸ CTSL P07711 2/20 0.51
▸ REN P00797 2/20 0.50
▸ LNPEP Q9UIQ6 1/20 0.49
▸ BCL2 P10415 1/20 0.48
▸ YAP1 P46937 2/20 0.48
▸ GPR132 Q9UNW8 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ PTPN1 P18031 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
SCHEMBL7340634 1.00 CTSK (0.53) CTSKERAP2IL1RNERAP1POLB
SCHEMBL7345719 0.91 CTSK (0.58) CTSKERAP2IL1RNERAP1POLB
SCHEMBL7339988 0.91 CTSK (0.58) CTSKERAP2IL1RNERAP1POLB
SCHEMBL7335815 0.91 CTSK (0.57) CTSKERAP2IL1RNERAP1POLB
SCHEMBL7335812 0.91 CTSK (0.57) CTSKERAP2IL1RNERAP1POLB
SCHEMBL7339972 0.90 CTSS (0.57) CTSKERAP2IL1RNERAP1POLB
SCHEMBL7338757 0.90 GAA (0.61) CTSKERAP2IL1RNERAP1POLB
SCHEMBL7341802 0.90 CTSK (0.62) CTSKERAP2IL1RNERAP1POLB
SCHEMBL7339964 0.90 CTSS (0.57) CTSKERAP2IL1RNERAP1POLB
SCHEMBL7338752 0.90 GAA (0.61) CTSKERAP2IL1RNERAP1POLB

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
Send feedback