SCHEMBL6032313

SCHEMBL6032313

COC(=O)[C@H](CC(C)C)N[13C](=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 2/20 0.67
▸ CTSL P07711 3/20 0.63
▸ BIRC2 Q13490 1/20 0.61
▸ TAS1R3 Q7RTX0 2/20 0.59
▸ TAS1R1 Q7RTX1 2/20 0.59
▸ GAA P10253 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.58
▸ THRB P10828 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ GLA P06280 1/20 0.58
▸ BACE1 P56817 1/20 0.58
▸ CTSS P25774 1/20 0.57
▸ CTSK P43235 1/20 0.57

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
SCHEMBL4369272 0.91 GAA (0.69) PSMB5CTSLGAARAB9AALDH1A1
SCHEMBL13669573 0.91 GAA (0.69) PSMB5CTSLGAARAB9AALDH1A1
SCHEMBL9830474 0.89 PSMB5 (0.72) PSMB5CTSLBACE1CTSSCTSK
SCHEMBL9830466 0.89 PSMB5 (0.72) PSMB5CTSLBACE1CTSSCTSK
SCHEMBL6241209 0.88 TAS1R3 (0.68) CTSLTAS1R3TAS1R1CTSSCTSK
SCHEMBL10407750 0.88 TAS1R3 (0.68) CTSLTAS1R3TAS1R1CTSSCTSK
SCHEMBL14479005 0.88 TAS1R3 (0.58) PSMB5CTSLBIRC2TAS1R3TAS1R1
SCHEMBL23106778 0.86 BIRC2 (0.63) BIRC2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL2735614 0.86 CTSL (0.70) PSMB5CTSLBACE1CTSSCTSK
SCHEMBL16694897 0.86 PSMB5 (0.61) PSMB5CTSLGAARAB9AALDH1A1

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
EP-0989137-B1 Diagnostic agents for pancreatic exocrine function TOKYO GAS CO LTD (JP) 2006-11-02 — — EP claimed
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