SCHEMBL9317429

SCHEMBL9317429

CC(C)(C)OC(=O)N(C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 2/20 0.48
▸ TPSD1 Q9BZJ3 2/20 0.48
▸ TPSG1 Q9NRR2 2/20 0.48
▸ MAPT P10636 2/20 0.46
▸ KLK7 P49862 2/20 0.44
▸ KLK5 Q9Y337 2/20 0.44
▸ FOLH1 Q04609 5/20 0.44
▸ POLB P06746 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ CHRNA1 P02708 2/20 0.42
▸ CHRNG P07510 2/20 0.42
▸ CHRNB1 P11230 2/20 0.42
▸ CHRND Q07001 2/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ CPB1 P15086 1/20 0.41
▸ CPB2 Q96IY4 1/20 0.41

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
SCHEMBL9317633 0.87 TPSAB1 (0.51) TPSAB1TPSD1TPSG1MAPTKLK7
SCHEMBL28902002 0.79 KLK7 (0.59) MAPTKLK7KLK5FOLH1ABCB1
SCHEMBL28902004 0.79 KLK7 (0.59) MAPTKLK7KLK5FOLH1ABCB1
SCHEMBL29051005 0.77 ACE (0.41) KLK5CTSLCTSBCTSSCTSK
SCHEMBL28620363 0.77 AKT1 (0.47) TPSAB1TPSD1TPSG1MAPTKLK5
SCHEMBL9389258 0.75 FOLH1 (0.61) FOLH1CPB1CPB2
SCHEMBL10799819 0.74 TPSAB1 (0.51) TPSAB1TPSD1TPSG1MAPTKLK7
SCHEMBL10746894 0.74 MAPT (0.47) TPSAB1TPSD1TPSG1MAPTKLK7
SCHEMBL15976615 0.73 CA1 (0.66) FOLH1CPB1CPB2
SCHEMBL23113656 0.73 FOLH1 (0.71) FOLH1CPB1CPB2

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
US-H1312-H Method for the preparation of gyk-dtpa CYTOGEN CORPORATION (US) 1994-05-03 — — US disclosed
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